SCHEMBL31037316

SCHEMBL31037316

Nc1ccc(C(=O)Nc2ccccc2)c(C#Cc2ccc(C(=O)NCCN3CCCCC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 4/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ EPHX2 P34913 3/20 0.47
▸ KIT P10721 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ NAMPT P43490 2/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CACNA1G O43497 1/20 0.43

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
SCHEMBL31037306 0.86 ATR (0.46) ATRMEN1POLBKMT2AEPHX2
SCHEMBL31037250 0.85 KDR (0.46) ATRMEN1POLBKMT2AEPHX2
SCHEMBL3642214 0.80 CYP1A2 (0.65) MEN1POLBKMT2ACYP1A2CYP2D6
SCHEMBL22837224 0.80 CD274 (0.62) MEN1POLBKMT2AEPHX2CYP1A2
SCHEMBL31037344 0.79 NAMPT (0.50) ATRMEN1POLBKMT2AEPHX2
SCHEMBL31037355 0.78 NAMPT (0.48) CYP1A2CYP2D6CYP2C9NAMPTIKBKB
SCHEMBL18874231 0.76 CD274 (0.59) MEN1POLBKMT2AEPHX2CYP1A2
SCHEMBL3401326 0.74 CYP1A2 (0.74) MEN1POLBKMT2AEPHX2CYP1A2
SCHEMBL16151552 0.74 DRD2 (0.61) CYP1A2CYP2D6CYP2C9DRD2DRD4
SCHEMBL3408343 0.73 ALDH1A1 (0.71) MEN1POLBKMT2AEPHX2CYP1A2

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
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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