SCHEMBL4525877

SCHEMBL4525877

C#Cc1cccc(Nc2ncnc3cc4ncn(C)c4cc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.71
▸ GAK O14976 3/20 0.63
▸ FBP1 P09467 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ ERBB2 P04626 3/20 0.58
▸ ERBB4 Q15303 2/20 0.58
▸ RIPK2 O43353 2/20 0.58
▸ BUB1 O43683 2/20 0.58
▸ STK10 O94804 2/20 0.58
▸ MAP3K1 Q13233 2/20 0.58
▸ PIP4K2C Q8TBX8 2/20 0.58
▸ SLK Q9H2G2 2/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ CIT O14578 1/20 0.58
▸ AURKA O14965 1/20 0.58
▸ EPHB6 O15197 1/20 0.58
▸ SLC22A1 O15245 1/20 0.58
▸ DAPK3 O43293 1/20 0.58
▸ KDM1A O60341 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6207449 0.99 EGFR (0.70) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL4365259 0.96 EGFR (0.71) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7665624 0.95 EGFR (0.70) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL2607975 0.80 EGFR (0.72) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL8315445 0.80 EGFR (0.77) EGFRERBB2LMNA
SCHEMBL17931472 0.79 EGFR (1.00) EGFRGAKFBP1MAPTERBB2
SCHEMBL29484155 0.78 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL28407487 0.78 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL4356364 0.78 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL256396 0.78 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907642-B1 PHENYLAMINO-SUBSTITUTED TRICYCLIC DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES PFIZER (US) 2005-11-02 — — EP claimed
EP-0907642-A1 PHENYLAMINO-SUBSTITUTED TRICYCLIC DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES PFIZER INC. (US) 1999-04-14 — — EP claimed
WO-1997049688-A1 PHENYLAMINO-SUBSTITUTED TRICYCLIC DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES PFIZER INC. (US) 1997-12-31 — — WO claimed
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 — — WO disclosed
EP-0907642-B1 PHENYLAMINO-SUBSTITUTED TRICYCLIC DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES PFIZER (US) 2005-11-02 — — EP disclosed
US-6335344-B1 Phenylamino-substituted tricyclic derivatives for treatment of hyperproliferative diseases PFIZER INC. 2002-01-01 — — US disclosed
EP-0907642-A1 PHENYLAMINO-SUBSTITUTED TRICYCLIC DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES PFIZER INC. (US) 1999-04-14 — — EP disclosed
WO-1997049688-A1 PHENYLAMINO-SUBSTITUTED TRICYCLIC DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES PFIZER INC. (US) 1997-12-31 — — WO disclosed
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