SCHEMBL21893891

SCHEMBL21893891

Nc1ccnc2[nH]cc(F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.41
▸ CDK2 P24941 6/20 0.41
▸ CDK9 P50750 6/20 0.41
▸ CDK5 Q00535 6/20 0.41
▸ CCNT1 O60563 5/20 0.41
▸ CCNA2 P20248 5/20 0.41
▸ CCNA1 P78396 5/20 0.41
▸ CDK5R1 Q15078 5/20 0.41
▸ LRRK2 Q5S007 3/20 0.39
▸ JAK2 O60674 5/20 0.38
▸ ROCK2 O75116 6/20 0.38
▸ ROCK1 Q13464 3/20 0.38
▸ CDC42BPA Q5VT25 3/20 0.38
▸ PDPK1 O15530 2/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ DYRK3 O43781 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
SCHEMBL594143 0.76 PRKCI (0.46) CDK2CDK9CDK5CCNT1CCNA2
SCHEMBL23883560 0.76 LRRK2 (0.59) AURKACDK2CDK9CDK5CCNT1
SCHEMBL21620451 0.76 HTR2A (0.46) AURKACDK2LRRK2JAK2ROCK2
SCHEMBL31541397 0.76 PRKCI (0.46) CDK2CDK9CDK5CCNT1CCNA2
SCHEMBL14907823 0.76 LOXL2 (0.47) CDK2CDK9CDK5CCNT1CCNA2
SCHEMBL2881812 0.74 ROCK2 (0.44) AURKACDK2ROCK2ROCK1CDC42BPA
SCHEMBL26349932 0.74 AURKA (0.37) AURKACDK2CDK9CDK5CCNT1
SCHEMBL4404315 0.72 AURKA (0.37) AURKACDK2JAK2ROCK2ROCK1
SCHEMBL30668767 0.72 ROCK1 (0.57) ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL22304206 0.72 JAK2 (0.38) CDK2CDK9CDK5CCNT1CCNA2

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-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — WO disclosed
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