SCHEMBL31687296

SCHEMBL31687296

Cc1nc(N[C@H]2CCNC2)ccc1-c1nccc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HRH3 Q9Y5N1 5/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ ATAD2 Q6PL18 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ NRAS P01111 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ IRAK1 P51617 1/20 0.39
▸ HRH2 P25021 1/20 0.38
▸ PRKCI P41743 2/20 0.38
▸ PRKD1 Q15139 2/20 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
SCHEMBL30833322 0.87 CYP1A2 (0.47) CYP1A2CYP2C19HRH3MAP4K1BRD4
SCHEMBL31687286 0.87 CYP1A2 (0.47) CYP1A2CYP2C19HRH3MAP4K1BRD4
Hydrochloric Acid SCHEMBL30457682 0.86 CYP1A2 (0.46) CYP1A2CYP2C19HRH3MAP4K1BRD4
SCHEMBL31687285 0.84 FLT3 (0.45) CYP1A2CYP2C19HRH3MAP4K1HRH4
SCHEMBL31687300 0.84 CYP1A2 (0.43) CYP1A2CYP2C19HRH3MAP4K1BRD4
SCHEMBL31634664 0.84 CYP1A2 (0.43) CYP1A2CYP2C19HRH3MAP4K1BRD4
SCHEMBL31687271 0.77 PRKCI (0.42) HRH3MAP4K1HRH4IRAK4NRAS
Hydrochloric Acid SCHEMBL30996519 0.74 MC4R (0.39) HRH3HRH4IRAK4NRASFLT3
SCHEMBL25435475 0.73 HDAC4 (0.53) HRH3HRH4NRASFLT3
SCHEMBL31687267 0.72 PRKCI (0.44) HRH3MAP4K1BRD4ATAD2HRH4

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
EP-4620955-A1 MC4R ANTAGONIST COMPOUND, PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL USE THEREOF Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2025-09-24 — — EP disclosed
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