SCHEMBL4815958

SCHEMBL4815958

COC(C)(C)CCc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc2c1c(N)nn2-c1c(C)cc(F)cc1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.55
STAT6 P42226 1/20 0.41
BRD4 O60885 3/20 0.39
FGFR4 P22455 1/20 0.38
PTK2 Q05397 4/20 0.38
EGFR P00533 1/20 0.38
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
TTK P33981 1/20 0.38
ABL1 P00519 1/20 0.38
BTK Q06187 1/20 0.38
INSR P06213 1/20 0.37
AXL P30530 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL4702279 0.86 TNK2 (0.49) TNK2JAK3CDK4CCND1BTK
SCHEMBL2953363 0.81 TNK2 (0.64) TNK2STAT6BRD4FGFR4PTK2
SCHEMBL30338621 0.71 TNK2 (1.00) TNK2STAT6BRD4JAK3BTK
SCHEMBL3139892 0.69 TNK2 (0.77) TNK2EGFRJAK3CDK4CCND1
SCHEMBL2952193 0.67 TNK2 (0.64) TNK2BRD4FGFR4JAK2JAK3
SCHEMBL2949395 0.67 TNK2 (0.60) TNK2JAK3BTKKDR
SCHEMBL265103 0.62 BRD4 (0.48) BRD4CDK4CCND1TTK
Hydrochloric Acid SCHEMBL266885 0.62 CDK4 (0.49) BRD4PTK2EGFRJAK2JAK3
SCHEMBL30620426 0.62 MAPT (0.64) BRD4PTK2EGFRJAK2JAK3
SCHEMBL264449 0.61 BRD4 (0.56) BRD4EGFRJAK2JAK3CDK4

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
EP-1926734-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS Amgen Inc. (US) 2008-06-04 EP disclosed
WO-2007024680-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS AMGEN INC. (US) 2007-03-01 WO disclosed