SCHEMBL4357645

SCHEMBL4357645

CCN(CC)CCCOc1cc2c(N(Cl)c3ccc(F)cc3)ncnc2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.57
▸ KDR P35968 7/20 0.52
▸ CSF1R P07333 6/20 0.48
▸ ERBB2 P04626 1/20 0.44
▸ ENPP1 P22413 1/20 0.44

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
SCHEMBL5084456 0.80 EGFR (0.67) EGFRKDRERBB2
SCHEMBL6266311 0.78 EGFR (0.44) EGFRKDRERBB2
Hydrochloric Acid SCHEMBL28090806 0.77 EGFR (0.50) EGFRKDRCSF1R
SCHEMBL3647109 0.74 EGFR (0.60) EGFRKDRCSF1RERBB2
SCHEMBL27626897 0.73 EGFR (0.59) EGFRKDRERBB2
SCHEMBL6898447 0.73 EGFR (0.49) EGFRKDRCSF1RERBB2ENPP1
SCHEMBL15338461 0.72 TRPA1 (0.58) EGFRKDRCSF1RERBB2
SCHEMBL10883 0.72 EGFR (1.00) EGFRKDRERBB2
SCHEMBL9052 0.72 EGFR (0.86) EGFRKDRERBB2
SCHEMBL15084624 0.72 EGFR (0.58) EGFRKDR

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
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 — — WO disclosed
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