SCHEMBL7008017

SCHEMBL7008017

CC(C)(N)c1cnc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.57
EGFR P00533 15/20 0.55
AURKB Q96GD4 3/20 0.53
ERBB4 Q15303 2/20 0.53
CHEK2 O96017 1/20 0.53
ROS1 P08922 1/20 0.53
FLT3 P36888 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
TTBK1 Q5TCY1 1/20 0.51
TTBK2 Q6IQ55 1/20 0.51
INCENP Q9NQS7 1/20 0.48

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
SCHEMBL7008019 0.83 ERBB2 (0.57) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL8458493 0.83 ERBB2 (0.57) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL4359054 0.81 ERBB2 (0.71) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7880662 0.80 ERBB2 (0.62) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7007455 0.79 ERBB2 (0.53) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL8458496 0.78 ERBB2 (0.55) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL4534304 0.77 ERBB2 (0.63) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7886632 0.76 ERBB2 (0.70) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7888548 0.75 ERBB2 (0.71) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL3320217 0.75 ERBB2 (0.69) ERBB2EGFRAURKBERBB4CHEK2

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-0912572-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-01-15 EP disclosed
US-6207669-B1 IN TREATMENT OF CANCER AND PSORIASIS GLAXO WELLCOME INC. 2001-03-27 US disclosed
EP-0912572-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002437-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed