SCHEMBL14348409

SCHEMBL14348409

Cc1cnc(Nc2ccccc2)nc1-c1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ CCNA1 P78396 2/20 0.54
▸ AURKA O14965 1/20 0.54
▸ JAK2 O60674 2/20 0.54
▸ JAK3 P52333 2/20 0.54
▸ CNR2 P34972 1/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ JAK1 P23458 1/20 0.51
▸ TYK2 P29597 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ BTK Q06187 1/20 0.51
▸ ROCK2 O75116 1/20 0.50
▸ RPS6KA5 O75582 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ PRKCG P05129 1/20 0.50
▸ PRKACA P17612 1/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ AKT1 P31749 1/20 0.50

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
SCHEMBL4003588 0.85 AURKA (0.55) AURKAJAK2JAK3
SCHEMBL14348407 0.79 CAMK2D (0.72) JAK2JAK3MAPK1EGFRROCK2
SCHEMBL8351194 0.78 MAPK14 (0.55) JAK2JAK3MAPK1JAK1TYK2
SCHEMBL14348413 0.78 CCNA2 (0.55) CCNA2CDK2CCNA1AURKAEGFR
SCHEMBL14348411 0.75 GRM5 (0.56) JAK2JAK3MAPK1EGFRBTK
SCHEMBL4559030 0.74 JAK2 (0.54) JAK2JAK3JAK1TYK2GSK3B
SCHEMBL10974957 0.73 JAK2 (0.53) CCNA2CDK2AURKAJAK2JAK3
SCHEMBL14021084 0.72 CAMK2D (0.62) JAK2JAK3CNR2MAPK1ROCK2
SCHEMBL22097760 0.72 JAK2 (0.64) CDK2AURKAJAK2JAK3MAPK1
SCHEMBL22114912 0.72 JAK2 (0.48) JAK2JAK3JAK1

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
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 — — US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 — — US disclosed
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