SCHEMBL31225030

SCHEMBL31225030

COC(=O)c1cncc(-c2ccc3[nH]nnc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.47
▸ CYP11B1 P15538 5/20 0.47
▸ MTOR P42345 1/20 0.45
▸ CYP2A6 P11509 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ S1PR1 P21453 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ GAA P10253 1/20 0.35

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
SCHEMBL31224620 0.85 GABRG2 (0.48) MTORALDH1A1ABL1BCRSRC
SCHEMBL31224952 0.85 MKNK1 (0.43) ALDH1A1
Lithium Ion SCHEMBL31224846 0.83 HIPK2 (0.32) MTOR
SCHEMBL31224632 0.82 ATAD2 (0.43) ATMHPGDSALPLALDH1A1GAA
SCHEMBL31224836 0.79 KMT2A (0.45) ALDH1A1GAA
SCHEMBL31224949 0.74 CYP11B2 (0.52) CYP11B2CYP11B1MTORCYP2A6ATM
SCHEMBL3715051 0.72 ATM (0.69) CYP11B2CYP11B1CYP2A6ATMS1PR1
SCHEMBL31224823 0.72 MAP2K4 (0.47) MTORALDH1A1
SCHEMBL7831294 0.71 CYP11B2 (0.52) CYP11B2CYP11B1MTORCYP2A6ATM
SCHEMBL14778933 0.71 CRBN (0.48) CYP11B2CYP11B1MTORCYP2A6ATM

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
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 — — EP disclosed
WO-2024184650-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS. ThirtyFiveBio Limited (GB) 2024-09-12 — — WO disclosed
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