SCHEMBL10842005

SCHEMBL10842005

CN(C)/C=N/C(=O)c1c(N2CCN(Cc3ccccc3)CC2)nn2c(-c3cccc(C(F)(F)F)c3)ccnc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.45
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CHRM2 P08172 5/20 0.38
CHRM1 P11229 3/20 0.38
HSD11B1 P28845 1/20 0.38
CHRM3 P20309 1/20 0.38
CFTR P13569 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL10842009 1.00 BRAF (0.45) BRAFALDH1A1KMT2AMEN1HPGD
SCHEMBL10843461 0.85 KDM4E (0.51) BRAFALDH1A1KMT2AKDM4ELMNA
SCHEMBL10842548 0.81 BRAF (0.44) BRAFCFTRSRPK1
SCHEMBL9728647 0.80 KDM4E (0.48) BRAFKDM4E
SCHEMBL9878320 0.80 KDM4E (0.48) BRAFKDM4E
SCHEMBL10842553 0.80 HSD11B1 (0.38) BRAFALDH1A1KMT2AMEN1HPGD
SCHEMBL10842538 0.78 BRAF (0.41) BRAFHPGDHSD11B1CFTR
SCHEMBL10842544 0.78 BRAF (0.41) BRAFHPGDHSD11B1CFTR
SCHEMBL10842306 0.78 KDM4E (0.49) BRAFALDH1A1KMT2AMEN1KDM4E
SCHEMBL9877207 0.73 KDM4E (0.67) BRAFKDM4E

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-4576943-A NERVOUS SYSTEM DISORDERS, SEDATIVES, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1986-03-18 US claimed