SCHEMBL30152341

SCHEMBL30152341

Nc1ccc(OCC2CCC(F)(F)CC2)c2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.42
▸ CDK1 P06493 7/20 0.38
▸ CCNB1 P14635 6/20 0.38
▸ CCNA2 P20248 5/20 0.38
▸ CCNA1 P78396 5/20 0.38
▸ CCNB2 O95067 3/20 0.38
▸ CCNB3 Q8WWL7 3/20 0.38
▸ MAPK3 P27361 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ MCHR1 Q99705 3/20 0.34
▸ KDM5A P29375 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ SCN9A Q15858 4/20 0.33
▸ SCN5A Q14524 2/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32

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
SCHEMBL24968804 1.00 CDK2 (0.42) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL30152188 0.82 CDK2 (0.33) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL30152322 0.79 CDK2 (0.38) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL24968800 0.79 CDK2 (0.38) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL24968801 0.77 EGFR (0.38) MAPK3SCN9ASCN5A
SCHEMBL30152336 0.77 EGFR (0.38) MAPK3SCN9ASCN5A
SCHEMBL24969547 0.77 KDM5A (0.35) MCHR1KDM5AKDM4CKDM5BSCN9A
SCHEMBL30152285 0.77 KDM5A (0.35) MCHR1KDM5AKDM4CKDM5BSCN9A
SCHEMBL20554482 0.74 HSP90AA1 (0.40) MCHR1KDM5AKDM4CKDM5BBRD4
SCHEMBL24968803 0.72 MCHR1 (0.42) MCHR1KDM5AKDM4CKDM5BSCN9A

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 — — WO disclosed
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