SCHEMBL6874758

SCHEMBL6874758

CCOc1cc(Cc2cnc(N)nc2N)cc(O)c1-c1ccc(OC)cc1.CCOc1cc(Cc2cnc(N)nc2N)cc(OCc2ccccc2)c1-c1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.58
CSF1R P07333 1/20 0.58
NTRK3 Q16288 1/20 0.58
NTRK2 Q16620 1/20 0.58
DHFR P00374 2/20 0.52
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6557380 0.95 NTRK1 (0.64) NTRK1CSF1RNTRK3NTRK2DHFR
SCHEMBL6555293 0.92 DHFR (0.60) NTRK1CSF1RNTRK3NTRK2DHFR
SCHEMBL6556791 0.87 DHFR (0.66) NTRK1CSF1RNTRK3NTRK2DHFR
SCHEMBL6555466 0.87 NTRK1 (0.53) NTRK1CSF1RNTRK3NTRK2DHFR
SCHEMBL6556403 0.86 DHFR (0.55) DHFR
SCHEMBL6557379 0.84 DHFR (0.58) NTRK1CSF1RNTRK3NTRK2DHFR
SCHEMBL6555352 0.84 DHFR (0.57) DHFR
SCHEMBL6555245 0.84 DHFR (0.55) DHFR
SCHEMBL6556707 0.84 DHFR (0.53) DHFR
SCHEMBL6555407 0.83 DHFR (0.57) DHFR

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
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed