SCHEMBL30364043

SCHEMBL30364043

COc1ccc(CNc2ncnc3c2c(-c2cc(C4CC4)on2)cn3C(C)C)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 0.55
▸ CYP1A2 P05177 14/20 0.47
▸ CYP3A4 P08684 14/20 0.47
▸ CYP2C19 P33261 14/20 0.47
▸ CYP2D6 P10635 12/20 0.43
▸ ALDH1A1 P00352 10/20 0.43
▸ CLK4 Q9HAZ1 8/20 0.43
▸ LMNA P02545 6/20 0.43
▸ MAPK1 P28482 6/20 0.43
▸ USP2 O75604 5/20 0.43
▸ HIF1A Q16665 4/20 0.43
▸ TSHR P16473 12/20 0.42
▸ CYP2C9 P11712 8/20 0.42
▸ HSD17B10 Q99714 7/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL31639478 0.87 RET (0.55) RETCYP1A2CYP3A4CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL21178768 0.82 RET (0.50) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21178863 0.82 RET (0.60) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21178737 0.80 RET (0.48) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21178740 0.78 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL21178952 0.77 RET (0.57) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL30813471 0.74 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL27217965 0.74 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL29897211 0.74 RET (0.57) RETCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21179025 0.74 RET (0.57) RETCYP1A2CYP3A4CYP2C19CYP2D6

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-2025137605-A1 COMPOUNDS FOR TARGETED DEGRADATION OF PROTO-ONCOGENE TYROSINE PROTEIN KINASE RECEPTOR C4 THERAPEUTICS, INC. (US) 2025-06-26 — — WO disclosed
CN-111971286-B Substituted pyrrolo [2,3-d ] pyrimidine compounds as RET kinase inhibitors 阿雷生物药品公司 2023-04-14 — — CN disclosed
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