SCHEMBL29645944

SCHEMBL29645944

Cc1ccc2nc(Nc3ccccnc3=O)n3nc(-c4cnn(C)c4)nc3c2c1C(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.33
PRKDC P78527 1/20 0.32
MET P08581 4/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
FECH P22830 1/20 0.31
MST1R Q04912 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
WNT1 P04628 1/20 0.31
DYRK1A Q13627 1/20 0.31
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30

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
SCHEMBL29645724 0.87 AXL (0.34) EGFRMETWNT1DYRK1AAXL
SCHEMBL29646166 0.84 PIK3CD (0.35) EGFRMET
SCHEMBL29645842 0.83 MET (0.33) EGFRPRKDCMET
SCHEMBL29645501 0.82 EGFR (0.33) EGFRMETHDAC8WNT1DYRK1A
SCHEMBL29646031 0.82 KDR (0.33) EGFRMETMERTK
SCHEMBL29645782 0.81 MAPT (0.43)
SCHEMBL29646322 0.81 RXFP1 (0.40) EGFR
SCHEMBL29645874 0.80 ADORA3 (0.40) METCYP3A4CYP2D6CYP2C9FECH
SCHEMBL29645783 0.78 ADORA3 (0.42)
SCHEMBL29646053 0.78 ADORA3 (0.41) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed