SCHEMBL14301031

SCHEMBL14301031

CN1CCC(N2Cc3cc4nc(-c5c(NC[C@@H](O)COc6cc(O)c(O)cc6Cl)cc[nH]c5=O)[nH]c4cc3C2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.54
ACVRL1 P37023 4/20 0.54
RET P07949 2/20 0.54
ROS1 P08922 2/20 0.54
NTRK3 Q16288 1/20 0.54
NTRK2 Q16620 1/20 0.54
IGF1R P08069 16/20 0.44
CYP3A4 P08684 16/20 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
SCHEMBL794475 0.91 NTRK1 (0.54) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL10284254 0.91 NTRK1 (0.56) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL10284420 0.91 NTRK1 (0.53) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL12136547 0.90 NTRK1 (0.53) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL794172 0.90 NTRK1 (0.53) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL773129 0.89 NTRK1 (0.57) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL12135816 0.89 NTRK1 (0.59) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL767929 0.88 NTRK1 (0.56) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL10284424 0.88 NTRK1 (0.57) NTRK1ACVRL1RETROS1NTRK3
SCHEMBL767930 0.88 NTRK1 (0.56) NTRK1ACVRL1RETROS1NTRK3

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-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed