SCHEMBL7778573

SCHEMBL7778573

COc1cc2ncnc(NC(C3CCc4ccccc4C3)C(F)(F)F)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.55
SOS1 Q07889 3/20 0.50
KRAS P01116 2/20 0.50
KDR P35968 2/20 0.46
RET P07949 2/20 0.46
LCK P06239 3/20 0.45
FLT1 P17948 1/20 0.45
AURKA O14965 1/20 0.45
INSR P06213 1/20 0.45
IGF1R P08069 1/20 0.45
CDK4 P11802 1/20 0.45
AURKB Q96GD4 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
BRD4 O60885 1/20 0.44
ERBB2 P04626 1/20 0.44
ERBB4 Q15303 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7773684 0.83 EGFR (0.57) EGFRSOS1KRASKDRRET
SCHEMBL7778224 0.82 EGFR (0.54) EGFRSOS1KRASKDRRET
SCHEMBL7778512 0.81 EGFR (0.53) EGFRSOS1KRASKDRRET
SCHEMBL7773707 0.81 EGFR (0.53) EGFRSOS1KRASKDRRET
SCHEMBL7778562 0.78 EGFR (0.50) EGFRSOS1KRASKDRRET
SCHEMBL7778258 0.73 EGFR (0.45) EGFRSOS1KRASKDRAURKA
SCHEMBL7773665 0.73 LMNA (0.46) BRD4LMNAHTT
SCHEMBL7773701 0.73 EGFR (0.70) EGFRSOS1KRASKDRRET
SCHEMBL27537381 0.71 EGFR (1.00) EGFRSOS1KRASKDRRET
SCHEMBL5864606 0.67 EGFR (1.00) EGFRKDRRETLCKFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853616-B1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-09-19 EP claimed
US-6057326-A USED FOR TREATING EPIDERMAL HYPERPROLIFERATION, AS AN ANTI-METASTATIC OR ANTI-CANCER AGENT, TO CONTROL ANGIOGENESIS, INHIBIT DEVELOPMENT OF ATHEROMATOUS PLAQUE, TREATING ALZHEIMER'S DISEASE, OR AS AN IMMUNOMODULATING AGENT PHARMACIA & UPJOHN S.P.A (IT) 2000-05-02 US claimed
EP-0853616-B1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-09-19 EP disclosed
US-6057326-A USED FOR TREATING EPIDERMAL HYPERPROLIFERATION, AS AN ANTI-METASTATIC OR ANTI-CANCER AGENT, TO CONTROL ANGIOGENESIS, INHIBIT DEVELOPMENT OF ATHEROMATOUS PLAQUE, TREATING ALZHEIMER'S DISEASE, OR AS AN IMMUNOMODULATING AGENT PHARMACIA & UPJOHN S.P.A (IT) 2000-05-02 US disclosed