SCHEMBL14254294

SCHEMBL14254294

COc1ccc(-c2ccnc(Nc3cccc(F)c3)c2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 5/20 0.48
▸ BRAF P15056 2/20 0.46
▸ TNIK Q9UKE5 2/20 0.46
▸ PIK3C3 Q8NEB9 1/20 0.46
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAF1 P04049 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ EGFR P00533 2/20 0.44
▸ BUB1 O43683 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ PRKCQ Q04759 1/20 0.42

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
SCHEMBL14254299 0.87 MAPK10 (0.52) MAPK10TNIKEGFRNTRK1ROCK1
SCHEMBL14254297 0.87 ROCK1 (0.57) MAPK10BRAFABCG2MAPTRAF1
SCHEMBL14254293 0.87 MAPK10 (0.57) MAPK10MEN1KMT2AEGFRNTRK1
SCHEMBL14254295 0.86 EGFR (0.50) MAPK10TNIKCYP1A2TP53MAPT
SCHEMBL14254300 0.83 MAPK10 (0.51) MAPK10PIK3C3ABCG2MAPTRAF1
SCHEMBL14254305 0.82 CCNT1 (0.55) MAPK10BRAFRAF1EGFRROCK1
SCHEMBL14254312 0.81 PDGFRB (0.47) MAPK10BRAFTNIKPIK3C3CYP1A1
SCHEMBL14253945 0.81 PIK3CG (0.62) CYP1A1CYP1A2CYP1B1TP53POLB
SCHEMBL14254306 0.81 MAPK10 (0.49) MAPK10TNIKMEN1KMT2ANTRK1
SCHEMBL14254249 0.78 PIK3CG (0.59) MEN1KMT2AEGFRLCKPRKCQ

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-7348335-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-25 — — US disclosed
US-7348335-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-25 — — US disclosed
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