SCHEMBL5261472

SCHEMBL5261472

Nc1ncccc1-c1nc(-c2ccccn2)c(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ BLM P54132 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ SCN5A Q14524 1/20 0.35

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
SCHEMBL4896820 0.77 CCR1 (0.46) KDM4ENPC1BLMALOX15L3MBTL1
Hydrochloric Acid SCHEMBL27638988 0.73 DHODH (0.41) KDM4ESCN5ASCN9A
SCHEMBL9317262 0.73 HSD11B1 (0.43) MAP4K4ALOX15CDK1CDK2MKNK1
SCHEMBL30802290 0.72 KDM4E (0.54) KDM4ENPC1BLMMAP4K4ALOX15
SCHEMBL844746 0.72 KDM4E (0.54) KDM4ENPC1BLMMAP4K4ALOX15
SCHEMBL31555445 0.71 SCN5A (0.49) TGFBR1KDM4ENPC1BLMRXFP1
SCHEMBL15323277 0.71 SCN5A (0.49) TGFBR1KDM4ENPC1BLMRXFP1
SCHEMBL4905177 0.70 ULK1 (0.47) KDM4ENPC1SCN5ASCN9A
SCHEMBL4166620 0.69 TGFBR1 (0.56) TGFBR1KDM4ENPC1BLMRXFP1
SCHEMBL30090604 0.69 TGFBR1 (0.56) TGFBR1KDM4ENPC1BLMRXFP1

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-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 — — EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 — — WO disclosed
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