SCHEMBL31430780

SCHEMBL31430780

COc1ccc(C)c(NC(=O)c2c(Cl)ccnc2Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ PDE4D Q08499 5/20 0.40
▸ GRM4 Q14833 3/20 0.39
▸ PDE4A P27815 3/20 0.39
▸ PDE4B Q07343 3/20 0.39
▸ PDE4C Q08493 3/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ PTGES O14684 1/20 0.37

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
SCHEMBL31737736 0.75 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL31430773 0.74 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL31430866 0.73 MAPT (0.46) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL31052554 0.69 LCK (0.41) POLBKMT2AMEN1MAPT
SCHEMBL25232089 0.69 TYK2 (0.43) POLBKMT2AALDH1A1TYK2JAK2
SCHEMBL56989 0.69 ATR (0.46) POLBKMT2AMEN1ALDH1A1TYK2
SCHEMBL30227922 0.69 ATR (0.46) POLBKMT2AMEN1ALDH1A1TYK2
SCHEMBL31704595 0.68 KDM4E (0.42) MAPTCHRNA7
SCHEMBL16135550 0.68 CHRM4 (0.46) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6538150 0.68 KMT2A (0.50) KMT2ATYK2JAK2JAK1

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-2025007784-A1 HETEROAROMATIC RING COMPOUND, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-01-09 — — WO disclosed
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