SCHEMBL13867828

SCHEMBL13867828

COc1ccc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)cc1OC1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.57
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PDGFRB P09619 4/20 0.47
PDGFRA P16234 4/20 0.47
TRPV1 Q8NER1 1/20 0.44
MAOB P27338 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
EGFR P00533 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
ERBB2 P04626 1/20 0.43
SYK P43405 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL13867868 0.83 KDR (0.63) KDRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3889476 0.83 KDR (0.67) KDRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13867851 0.81 KDR (0.56) KDRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3890618 0.81 KDR (0.60) KDRNPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL3889313 0.81 KDR (0.60) KDRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3892724 0.81 PDGFRB (0.46) KDRPDGFRBPDGFRAEGFRERBB2
SCHEMBL3893118 0.80 KDR (0.52) KDRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7053803 0.80 KDR (0.58) KDRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13867826 0.80 KDR (0.60) KDRNPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL3891446 0.79 KDR (0.53) KDRNPC1RAB9ASMN1; SMN2LMNA

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-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed