SCHEMBL21188528

SCHEMBL21188528

C/C(=N/N)Nc1ccc2cc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ AXL P30530 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ PLK4 O00444 1/20 0.31
▸ DCLK1 O15075 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ PAK4 O96013 1/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ INSR P06213 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ FES P07332 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ FER P16591 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL21874330 0.73 APP (0.41) APPAXLNUDT1PIK3C3SYK
SCHEMBL12205185 0.71 NCF1 (0.47) APPBRD4AXLNUDT1CDK8
SCHEMBL21088541 0.71 APP (0.35) APPBRD4AXLNUDT1PIK3C3
SCHEMBL12128989 0.70 APP (0.56) APPBRD4AXLNUDT1PLK4
Hydrochloric Acid SCHEMBL4979021 0.70 NCF1 (0.45) APPBRD4AXLNUDT1CDK8
SCHEMBL21961534 0.68 GSK3B (0.40) APP
SCHEMBL29510819 0.68 GSK3B (0.40) APP
SCHEMBL30009820 0.68 HPGD (0.57) —
SCHEMBL417409 0.67 APP (0.42) APPBRD4AXLNUDT1CDK8
SCHEMBL12225026 0.67 APP (0.42) APPBRD4AXLNUDT1CDK8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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