SCHEMBL30886358

SCHEMBL30886358

CC1CC=C(c2ccc3nn(C)cc3c2)NC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 6/20 0.36
▸ GRM5 P41594 3/20 0.36
▸ GRM1 Q13255 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ KDM1A O60341 3/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.34

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
SCHEMBL25325827 0.90 BRD4 (0.44) MAT2AKDM4EBRD4CREBBP
SCHEMBL25320390 0.80 TLR8 (0.39) TLR8
SCHEMBL30886292 0.74 CREBBP (0.44) BRD4CREBBP
SCHEMBL24364283 0.73 PRKCZ (0.42) BRD4CREBBP
SCHEMBL30886382 0.73 TDO2 (0.36) TLR8
SCHEMBL30886424 0.73 KDM4E (0.37) KDM4E
SCHEMBL30886362 0.72 ERCC1 (0.43) CREBBP
SCHEMBL24365178 0.71 CLK1 (0.49) —
SCHEMBL31430205 0.71 MAT2A (0.35) MAT2A
SCHEMBL25326041 0.70 GRM5 (0.38) GRM5GRM1KDM4EKDM1A

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
CN-118047793-A Pyridine derivative and application thereof 成都百裕制药股份有限公司 2024-05-17 — — CN disclosed
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