SCHEMBL4074175

SCHEMBL4074175

Clc1nc(Nc2cc(C3CC3)[nH]n2)c2cn[nH]c2n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.65
▸ PLK4 O00444 1/20 0.65
▸ IGF1R P08069 12/20 0.53
▸ NTRK1 P04629 1/20 0.48
▸ PAK1 Q13153 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
SCHEMBL29618398 0.79 ULK1 (0.65) PAK4NTRK1PAK1
SCHEMBL786513 0.79 ULK1 (0.65) PAK4NTRK1PAK1
SCHEMBL2317829 0.79 IGF1R (0.75) IGF1RNTRK1
SCHEMBL4069145 0.78 PAK4 (0.69) PAK4NTRK1PAK1
SCHEMBL4073719 0.78 PAK4 (0.48) PAK4IGF1RNTRK1PAK1
SCHEMBL4070230 0.78 NTRK1 (0.63) PAK4NTRK1PAK1
SCHEMBL219252 0.78 IGF1R (0.66) IGF1RNTRK1
SCHEMBL4067519 0.77 IGF1R (0.53) PAK4IGF1RNTRK1PAK1
SCHEMBL4072593 0.77 IGF1R (0.48) PAK4IGF1RNTRK1PAK1
SCHEMBL4071502 0.76 NTRK1 (0.61) PAK4IGF1RNTRK1PAK1

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-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 — — EP disclosed
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