SCHEMBL1387327

SCHEMBL1387327

Cc1ccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.62
RAPGEF4 Q8WZA2 1/20 0.54
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.51
EGFR P00533 9/20 0.50
KDR P35968 4/20 0.50
ERBB3 P21860 1/20 0.50
TNNI3K Q59H18 2/20 0.49
GRM1 Q13255 1/20 0.48
IDO1 P14902 1/20 0.48
AURKA O14965 1/20 0.47
ERBB2 P04626 1/20 0.47
INSR P06213 1/20 0.47
FBP1 P09467 1/20 0.47

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
SCHEMBL7775667 0.89 EGFR (0.60) APPSMN1; SMN2MAPK1EGFRERBB3
SCHEMBL7776032 0.87 EGFR (0.55) APPRAPGEF4MEN1NPC1RAB9A
SCHEMBL7775673 0.87 EGFR (0.57) MEN1NPC1RAB9AKMT2AMAPK1
SCHEMBL7771232 0.85 MEN1 (0.70) APPMEN1NPC1HTTRAB9A
SCHEMBL1387236 0.85 NPC1 (0.66) APPRAPGEF4MEN1NPC1KMT2A
SCHEMBL690919 0.83 NPC1 (0.55) RAPGEF4NPC1MAPK1EGFRKDR
SCHEMBL7777514 0.82 TNNI3K (0.53) RAPGEF4MAPK1EGFRKDRTNNI3K
SCHEMBL7771255 0.82 EGFR (0.62) MAPK1EGFRKDRERBB3TNNI3K
SCHEMBL1095277 0.82 MAPK1 (0.61) RAPGEF4MAPK1EGFRKDRERBB3
SCHEMBL7777361 0.82 EGFR (0.49) MAPK1EGFRKDRERBB3TNNI3K

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP claimed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US claimed
JP-H09506363-A 1997-06-24 JP claimed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO claimed
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed