SCHEMBL31744286

SCHEMBL31744286

O=C(NCc1ccn2ccnc2c1)Nc1ccc(-c2ccncc2)c(C#Cc2ccc(C3CCNCC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.39
▸ MASP2 O00187 1/20 0.38
▸ NAMPT P43490 13/20 0.35
▸ ROCK2 O75116 3/20 0.35
▸ P2RY14 Q15391 1/20 0.34
▸ ROCK1 Q13464 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL31744301 0.86 NAMPT (0.47) JAK3MASP2NAMPT
SCHEMBL31744290 0.86 NAMPT (0.45) NAMPTROCK2ROCK1
SCHEMBL15376523 0.84 JAK3 (0.53) JAK3MASP2NAMPT
SCHEMBL31744295 0.81 NAMPT (0.40) NAMPT
SCHEMBL31037464 0.80 P2RY14 (0.33) MASP2NAMPTP2RY14
SCHEMBL15376292 0.79 JAK3 (0.62) JAK3MASP2NAMPT
SCHEMBL31037500 0.78 P2RY14 (0.43) JAK3NAMPTP2RY14
SCHEMBL15376102 0.76 JAK3 (0.51) JAK3MASP2NAMPT
SCHEMBL15376206 0.73 MASP2 (0.43) JAK3MASP2NAMPT
SCHEMBL15376014 0.73 NAMPT (0.58) MASP2NAMPT

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