SCHEMBL8129747

SCHEMBL8129747

CS(=O)(=O)Nc1cccc(Nc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.65
▸ CDK1 P06493 10/20 0.65
▸ SRC P12931 8/20 0.65
▸ ABL1 P00519 14/20 0.64
▸ PRKCA P17252 9/20 0.64
▸ ABL2 P42684 2/20 0.56
▸ PDGFRB P09619 1/20 0.53
▸ PDGFRA P16234 1/20 0.53
▸ RET P07949 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.48
▸ CCNB2 O95067 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47

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
SCHEMBL8115485 0.95 EGFR (0.64) EGFRCDK1SRCABL1PRKCA
SCHEMBL6185990 0.93 EGFR (0.67) EGFRCDK1SRCABL1PRKCA
SCHEMBL8130260 0.88 EGFR (0.55) EGFRCDK1SRCABL1PRKCA
SCHEMBL8115748 0.87 EGFR (0.77) EGFRCDK1SRCABL1PRKCA
SCHEMBL8114816 0.85 EGFR (0.55) EGFRCDK1SRCABL1PRKCA
SCHEMBL8115535 0.85 EGFR (0.74) EGFRCDK1SRCABL1PRKCA
SCHEMBL8117209 0.84 EGFR (0.68) EGFRCDK1SRCABL1PRKCA
SCHEMBL8115045 0.84 EGFR (0.78) EGFRCDK1SRCABL1PRKCA
SCHEMBL6190187 0.83 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL8122574 0.83 EGFR (0.70) EGFRCDK1SRCABL1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819129-B1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2000-08-02 — — EP disclosed
US-5981533-A INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR EPIDERMAL GROWTH FACTOR AND CAN BE USED IN THE CASE OF EPIDERMAL HYPERPROLIFERATION (PSORIASIS) AND AS ANTI-TUMOR AGENTS NOVARTIS AG (CH) 1999-11-09 — — US disclosed
EP-0819129-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-01-21 — — EP disclosed
WO-1996031510-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1996-10-10 — — WO disclosed
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