SCHEMBL11468072

SCHEMBL11468072

NNc1nccc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.58
▸ CLK1 P49759 1/20 0.52
▸ CLK2 P49760 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ DYRK1B Q9Y463 1/20 0.52
▸ CTSS P25774 1/20 0.49
▸ MTOR P42345 1/20 0.48
▸ SMG1 Q96Q15 1/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ AURKA O14965 2/20 0.47
▸ KDM1A O60341 2/20 0.46
▸ GSK3B P49841 4/20 0.46
▸ XDH P47989 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.45

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
SCHEMBL21116043 0.86 CSNK1A1 (0.58) KMOCLK1CLK2DYRK1ACLK4
SCHEMBL2944816 0.82 CLK1 (0.60) KMOCLK1CLK2DYRK1ACLK4
SCHEMBL5593110 0.81 AGTR1 (0.68) KMOCTSSKDM4EKDM1AXDH
SCHEMBL2788482 0.81 CCNT1 (0.63) KMODYRK1ACTSSCDK2CCNT1
SCHEMBL5465537 0.80 KMO (0.61) KMOALDH1A1AURKAPIK3CDPIK3CA
SCHEMBL4738297 0.79 PLK1 (0.68) KMOCLK1CLK2DYRK1ACLK4
SCHEMBL11266115 0.79 MAPT (0.52) KMOCTSSKDM4EALDH1A1KDM1A
SCHEMBL25336406 0.78 CAMK2D (0.69) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL4737084 0.78 SYK (0.62) KMOCLK1CLK2DYRK1ACLK4
SCHEMBL30554563 0.78 CAMK2D (0.69) CLK1CLK2DYRK1ACLK4DYRK1B

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
US-4209621-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1980-06-24 — — US disclosed
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