SCHEMBL846286

SCHEMBL846286

COCc1ccncc1C#N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KCNH2 Q12809 5/20 0.40
HTT P42858 1/20 0.39
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL30100727 0.86 CYP11B1 (0.39) GPR119CYP11B1CYP11B2HTTCYP2E1
SCHEMBL4544573 0.86 CYP11B1 (0.39) GPR119CYP11B1CYP11B2HTTCYP2E1
SCHEMBL4420132 0.82 GPR119 (0.42) GPR119KCNH2HTTCYP2E1CYP2C8
SCHEMBL3822143 0.79 CYP2E1 (0.57) GPR119HTTCYP2E1CYP2C8CYP2D6
SCHEMBL15899185 0.78 GPR119 (0.43) GPR119KCNH2
SCHEMBL23480267 0.77 CYP11B2 (0.49) CYP11B1CYP11B2HTTCYP2E1CYP2C8
SCHEMBL6626248 0.76 CYP2E1 (0.59) GPR119HTTCYP2E1CYP2C8CYP2D6
SCHEMBL794054 0.76 MAPT (0.42) GPR119KCNH2HTTCYP2E1CYP2C8
SCHEMBL3280017 0.76 NCOA3 (0.42) GPR119CYP11B1CYP11B2KCNH2HTT
SCHEMBL14825828 0.76 HTT (0.42) GPR119KCNH2HTTCYP2E1CYP2C8

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-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed