SCHEMBL3397176

SCHEMBL3397176

CC1C=c2c(-c3c[nH]c(=O)c4c(N)nccc34)cc(-c3ccccc3F)nc2=NC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 1/20 0.33
SYK P43405 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
AURKA O14965 1/20 0.31
TTK P33981 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
CDK1 P06493 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
TGFBR1 P36897 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
SCHEMBL3380583 0.76 F2 (0.42) CHEK1PIM1PIM3PIM2SYK
SCHEMBL3380579 0.59 F10 (0.44) PIM1PIM3PIM2SYKCDK2
SCHEMBL246730 0.58 ALOX5AP (0.39)
SCHEMBL3382319 0.56 PDPK1 (0.39) SYK
SCHEMBL3391607 0.56 TGFBR1 (0.46) TGFBR1
SCHEMBL25011838 0.56 ASIC3 (0.56) PIM1AURKBCDK1MAPKAPK2TGFBR1
SCHEMBL30420906 0.56 ASIC3 (0.56) PIM1AURKBCDK1MAPKAPK2TGFBR1
SCHEMBL246654 0.56 F10 (0.46) PIM1SYKKDM5BMAPKAPK2TGFBR1
SCHEMBL12524273 0.55 TGFBR1 (0.40) PIM1PIM3PIM2TGFBR1
SCHEMBL13051144 0.55 DYRK1A (0.60) PIM1PIM3PIM2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 WO disclosed