SCHEMBL21188482

SCHEMBL21188482

CCCCc1cnc(N)nc1-c1c[nH]c2nc(N/C(C)=N\N)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 3/20 0.37
▸ CLK1 P49759 11/20 0.35
▸ CDK5 Q00535 9/20 0.33
▸ CDK5R1 Q15078 8/20 0.33
▸ MAP3K14 Q99558 2/20 0.31
▸ CCNT1 O60563 2/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ CCNA1 P78396 2/20 0.31
▸ PIKFYVE Q9Y2I7 1/20 0.30
▸ CDC7 O00311 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ CLK2 P49760 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL21188541 0.71 CDK7 (0.32) PDPK1
SCHEMBL21188782 0.67 CLK1 (0.43) CLK1CDK5CDK5R1MAP3K14PIKFYVE
SCHEMBL11994176 0.62 ADORA1 (0.48) —
SCHEMBL19930866 0.62 CDK5 (0.47) CDK5CDK5R1
SCHEMBL2996841 0.61 CDK5 (0.48) PDPK1CLK1CDK5CDK5R1CCNT1
SCHEMBL28201697 0.59 PKM (0.56) —
SCHEMBL21188528 0.59 APP (0.38) CDK5CDK2ROCK2CDK8CLK2
SCHEMBL4925137 0.59 DYRK1A (0.57) PDPK1CLK1CDK5CDK5R1MAP3K14
SCHEMBL3696797 0.58 ADORA2A (0.52) —
SCHEMBL2984404 0.58 CDK5 (0.64) PDPK1CLK1CDK5CDK5R1MAP3K14

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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