SCHEMBL31224632

SCHEMBL31224632

COC(=O)c1cc(N)cc(-c2ccc3[nH]nnc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.43
▸ MAPT P10636 9/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ALPL P05186 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ GLA P06280 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAP2K4 P45985 2/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGDS O60760 1/20 0.33

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
SCHEMBL31224868 0.87 LDHA (0.41) ALPLALDH1A1KDM4EMAP2K4MAPK1
SCHEMBL31224620 0.84 GABRG2 (0.48) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL31225030 0.82 CYP11B2 (0.47) ALPLALDH1A1GAAATMHPGDS
SCHEMBL31224836 0.82 KMT2A (0.45) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL31224724 0.72 ROCK2 (0.42) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL8410461 0.72 ATAD2 (0.60) ATAD2MAPTRAB9ANPC1ALDH1A1
SCHEMBL31224840 0.71 CSNK1D (0.38) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31224823 0.71 MAP2K4 (0.47) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL310982 0.70 ATAD2 (0.51) ATAD2MAPTRAB9ANPC1ALPL
SCHEMBL357302 0.69 ATAD2 (0.47) ATAD2MAPTRAB9ANPC1ALDH1A1

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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