SCHEMBL3963154

SCHEMBL3963154

Cc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1-c1ccc(-c2c(C)noc2C)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.51
KDR P35968 2/20 0.51
TBK1 Q9UHD2 5/20 0.47
NUAK1 O60285 3/20 0.47
NTRK1 P04629 2/20 0.47
CSF1R P07333 2/20 0.47
TYK2 P29597 2/20 0.47
STK16 O75716 1/20 0.47
CSNK2A2 P19784 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
ULK3 Q6PHR2 1/20 0.47
BMP2K Q9NSY1 1/20 0.47
IKBKE Q14164 2/20 0.47
CDK2 P24941 3/20 0.46
CCNA2 P20248 2/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
JAK3 P52333 2/20 0.46
JAK1 P23458 1/20 0.46
AURKA O14965 1/20 0.45

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
SCHEMBL3965218 0.90 AXL (0.45) CDK1KDRCDK2CCNA2JAK3
SCHEMBL3964134 0.82 AXL (0.46) CDK1KDRCDK2CCNA2JAK3
SCHEMBL3960892 0.79 CCNT1 (0.61) CDK1CDK2CCNA2CCNT1CDK9
SCHEMBL270735 0.77 PLK4 (0.60) CDK1KDRTBK1NUAK1NTRK1
SCHEMBL3971237 0.74 AXL (0.53) CDK1KDRCDK2CCNA2CCNT1
SCHEMBL13883490 0.74 KCNH2 (0.46) KDRTBK1CSF1RIKBKEJAK3
SCHEMBL3973039 0.74 SRC (0.58) KDRTBK1NUAK1NTRK1CSF1R
SCHEMBL14536298 0.72 TBK1 (0.67) CDK1KDRTBK1NUAK1NTRK1
SCHEMBL3966018 0.72 CCNT1 (0.42) CDK1CDK2CCNA2CCNT1CDK9
SCHEMBL29370869 0.70 CDK1 (0.63) CDK1KDRTBK1NUAK1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO claimed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed