SCHEMBL5597486

SCHEMBL5597486

Nc1cc(C2CC2)nn1C(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.48
▸ NPC1 O15118 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KCNJ6 P48051 12/20 0.45
▸ KCNJ3 P48549 12/20 0.45
▸ CRACR2A Q9BSW2 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ KCNJ5 P48544 7/20 0.43
▸ ATR Q13535 1/20 0.42

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
SCHEMBL174681 0.78 SMN1; SMN2 (0.44) SRCNPC1TP53RAB9ASMN1; SMN2
SCHEMBL4138174 0.73 NPC1 (0.40) SRCNPC1TP53RAB9ASMN1; SMN2
SCHEMBL13234482 0.68 KCNJ6 (0.84) KCNJ6KCNJ3KCNJ5
SCHEMBL1011586 0.67 RAB9A (0.88) NPC1TP53RAB9ASMN1; SMN2LMNA
SCHEMBL1531410 0.67 MAPT (0.47) NPC1TP53RAB9ASMN1; SMN2KCNJ6
SCHEMBL13896431 0.67 NPC1 (0.43) NPC1TP53RAB9ASMN1; SMN2LMNA
SCHEMBL173999 0.67 KDM4E (0.41) NPC1TP53RAB9ASMN1; SMN2LMNA
SCHEMBL25120811 0.65 ATR (0.45) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL27409551 0.65 GAA (0.42) SRCNPC1TP53RAB9ASMN1; SMN2
SCHEMBL23203519 0.65 KCNJ6 (0.65) NPC1TP53RAB9ASMN1; SMN2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 — — EP disclosed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 — — EP disclosed
CN-1379668-A 3(5)-ureido-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2002-11-13 — — CN disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 — — US disclosed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 — — EP disclosed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 — — WO disclosed
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