SCHEMBL27119775

SCHEMBL27119775

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ RAD52 P43351 1/20 0.35
▸ CYP11B2 P19099 3/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ GRM5 P41594 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ SSTR2 P30874 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ ABL1 P00519 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP19A1 P11511 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
SCHEMBL30759597 1.00 PDE7A (0.36) PDE7APDE3APDE10ARAD52CYP11B2
SCHEMBL27118975 0.94 PDE7A (0.35) PDE7APDE3APDE10ACYP11B2CYP11B1
SCHEMBL30759484 0.94 PDE7A (0.35) PDE7APDE3APDE10ACYP11B2CYP11B1
SCHEMBL27119953 0.89 CCNA2 (0.38) RAD52CYP11B2CYP11B1CCNA2CDK2
SCHEMBL30759574 0.89 CCNA2 (0.38) RAD52CYP11B2CYP11B1CCNA2CDK2
SCHEMBL31236967 0.88 ABL1 (0.33) CYP11B2CYP11B1GRM5GPR119BRD4
SCHEMBL30759625 0.88 PDE7A (0.36) PDE7APDE3APDE10ARAD52CYP11B2
SCHEMBL27119776 0.88 PDE7A (0.36) PDE7APDE3APDE10ARAD52CYP11B2
SCHEMBL30759534 0.87 PDE7A (0.35) PDE7APDE3APDE10ACYP11B2CYP11B1
SCHEMBL17381580 0.87 NR1H4 (0.34) GRM5GPR119SSTR2ABL1

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