SCHEMBL27122174

SCHEMBL27122174

COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N(C)C(C)C)nn1-c1cc(Cl)cc(Cl)c1)CC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.36
▸ IKBKB O14920 12/20 0.34
▸ CCNA2 P20248 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ CCNA1 P78396 4/20 0.33
▸ ALPL P05186 1/20 0.32
▸ CHUK O15111 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 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
SCHEMBL27122870 0.92 RAD52 (0.36) RAD52IKBKBCCNA2CDK2CCNA1
SCHEMBL27122215 0.92 IKBKB (0.34) RAD52IKBKBCCNA2CDK2CCNA1
SCHEMBL30759625 0.90 PDE7A (0.36) RAD52IKBKBCCNA2CDK2CCNA1
SCHEMBL27119776 0.90 PDE7A (0.36) RAD52IKBKBCCNA2CDK2CCNA1
SCHEMBL27120632 0.89 RAD52 (0.39) RAD52IKBKBCCNA2CDK2CCNA1
SCHEMBL27122153 0.89 RAD52 (0.40) RAD52IKBKBCCNA2CDK2CCNA1
SCHEMBL27120639 0.89 CYP11B2 (0.36) RAD52IKBKBCCNA2CDK2CCNA1
SCHEMBL27119960 0.88 CCNA2 (0.38) RAD52IKBKBCCNA2CDK2CCNA1
SCHEMBL30759553 0.88 CCNA2 (0.38) RAD52IKBKBCCNA2CDK2CCNA1
SCHEMBL27122311 0.87 CYP11B2 (0.39) RAD52IKBKBCCNA2CDK2CCNA1

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-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
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