SCHEMBL3762497

SCHEMBL3762497

COCCN(C)CC=CC(=O)Nc1cc2c(NC(C)c3ccccc3)nc(OC)nc2cc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 13/20 0.40
▸ EGFR P00533 8/20 0.40
▸ ERBB2 P04626 2/20 0.40
▸ KRAS P01116 1/20 0.36

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
SCHEMBL3541445 1.00 SOS1 (0.40) SOS1EGFRERBB2KRAS
SCHEMBL3769823 0.94 EGFR (0.39) SOS1EGFRERBB2KRAS
SCHEMBL3769825 0.94 EGFR (0.39) SOS1EGFRERBB2KRAS
SCHEMBL3769044 0.92 EGFR (0.39) SOS1EGFRERBB2KRAS
SCHEMBL3536485 0.92 EGFR (0.39) SOS1EGFRERBB2KRAS
SCHEMBL18010596 0.86 EGFR (0.41) SOS1EGFR
SCHEMBL252518 0.82 EGFR (0.44) SOS1EGFRERBB2
SCHEMBL252517 0.82 EGFR (0.44) SOS1EGFRERBB2
SCHEMBL3544316 0.81 EGFR (0.55) EGFRERBB2
SCHEMBL232622 0.78 EGFR (0.54) EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8919342-B2 Inhaler BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-30 — — US disclosed
US-20100313886-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 — — US disclosed
Send feedback