SCHEMBL15849838

SCHEMBL15849838

C/C(=N/NC(=N)N)c1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ TP53 P04637 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ EGFR P00533 2/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ CHUK O15111 1/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ PAK4 O96013 1/20 0.48
▸ CHEK2 O96017 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ PRKACA P17612 1/20 0.48

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
SCHEMBL13941371 1.00 RXFP1 (0.59) RXFP1NPC1RAB9ATP53POLB
SCHEMBL13941381 0.93 EGFR (0.52) RXFP1NPC1RAB9ATP53POLB
SCHEMBL13941495 0.92 EGFR (0.49) RXFP1NPC1RAB9ATP53POLB
SCHEMBL13941576 0.92 NPC1 (0.61) RXFP1NPC1RAB9ATP53POLB
SCHEMBL16108828 0.91 EGFR (0.56) RXFP1NPC1RAB9ATP53POLB
SCHEMBL13941390 0.91 EGFR (0.50) RXFP1NPC1RAB9ATP53POLB
SCHEMBL13941451 0.91 EGFR (0.56) RXFP1NPC1RAB9ATP53POLB
SCHEMBL13941389 0.90 EGFR (0.49) RXFP1NPC1RAB9ATP53POLB
SCHEMBL13941375 0.90 EGFR (0.49) RXFP1NPC1RAB9ATP53POLB
SCHEMBL13941448 0.89 NHERF1 (0.63) RXFP1NPC1RAB9AEGFRPIK3CA

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
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
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