SCHEMBL31687271

SCHEMBL31687271

Cc1nc(N[C@H]2CCNC2)ccc1-c1ncc(C#N)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 3/20 0.42
▸ FLT3 P36888 6/20 0.42
▸ NRAS P01111 5/20 0.42
▸ IRAK4 Q9NWZ3 5/20 0.41
▸ HRH4 Q9H3N8 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ IRAK1 P51617 2/20 0.39
▸ MAP4K1 Q92918 1/20 0.39
▸ KDM1A O60341 2/20 0.38
▸ CHEK1 O14757 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
SCHEMBL31687285 0.86 FLT3 (0.45) PRKCIFLT3NRASIRAK4HRH4
SCHEMBL31687286 0.84 CYP1A2 (0.47) FLT3NRASIRAK4HRH4HRH3
SCHEMBL30833322 0.84 CYP1A2 (0.47) FLT3NRASIRAK4HRH4HRH3
SCHEMBL31687300 0.84 CYP1A2 (0.43) PRKCIFLT3NRASHRH4HRH3
SCHEMBL31634664 0.84 CYP1A2 (0.43) PRKCIFLT3NRASHRH4HRH3
Hydrochloric Acid SCHEMBL30457682 0.83 CYP1A2 (0.46) FLT3NRASIRAK4HRH4HRH3
SCHEMBL1031708 0.78 PRKCI (0.51) PRKCIIRAK4
SCHEMBL1031709 0.78 PRKCI (0.51) PRKCIIRAK4
SCHEMBL31687296 0.77 CYP1A2 (0.46) PRKCIFLT3NRASIRAK4HRH4
Hydrochloric Acid SCHEMBL28555877 0.76 PRKCI (0.50) PRKCIIRAK4

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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