SCHEMBL3966844

SCHEMBL3966844

Cc1cnc(Nc2ccc(N3CCN(C)CC3)nc2)nc1-c1ccc(-c2cccc(C(C)C)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.47
CTSC P53634 1/20 0.46
BRD4 O60885 7/20 0.44
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
JAK2 O60674 1/20 0.44
CYP3A4 P08684 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
WEE1 P30291 2/20 0.41
MAP3K7 O43318 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CCNK O75909 1/20 0.41
CCND3 P30281 1/20 0.41
CDK6 Q00534 1/20 0.41
EGFR P00533 1/20 0.41
BRAF P15056 1/20 0.40
EIF2AK3 Q9NZJ5 1/20 0.40

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
SCHEMBL4079587 0.81 JAK2 (0.54) BRD4CDK9CCNT1CCNA2CDK2
SCHEMBL13881583 0.78 AXL (0.54) AXLJAK2JAK3
SCHEMBL3969938 0.78 AXL (0.56) AXLBRD4CDK9JAK2CYP3A4
SCHEMBL3971237 0.77 AXL (0.53) AXLCDK9CCNT1CCNA2CDK2
SCHEMBL13881457 0.76 JAK2 (0.44) AXLJAK2JAK3EGFR
SCHEMBL3969736 0.75 AURKA (0.37) AXLCDK2JAK2
SCHEMBL13881491 0.74 AXL (0.44) AXLJAK2JAK1JAK3
SCHEMBL3967372 0.73 BRD4 (0.69) BRD4JAK2JAK1JAK3WEE1
SCHEMBL15340948 0.71 ATM (0.53)
SCHEMBL21155510 0.70 CTSC (0.52) CTSCBRD4CDK9CCNA2CDK2

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
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