SCHEMBL13867809

SCHEMBL13867809

O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.66
LMNA P02545 3/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
GMNN O75496 1/20 0.59
TTR P02766 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
PKM P14618 1/20 0.59
NFKB1 P19838 1/20 0.59
UGT1A1 P22309 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
PMP22 Q01453 1/20 0.59
DHODH Q02127 1/20 0.59
TEAD4 Q15561 1/20 0.59
HIF1A Q16665 1/20 0.59

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
SCHEMBL13867865 0.92 KDR (0.72) KDRLMNAPOLBMEN1KMT2A
SCHEMBL3891696 0.91 KDR (0.66) KDRLMNAPOLBMEN1KMT2A
SCHEMBL3894313 0.88 KDR (0.63) KDRLMNAPOLBMEN1KMT2A
SCHEMBL13867891 0.87 DDR2 (0.57) KDRLMNAPOLBMEN1KMT2A
SCHEMBL3892583 0.86 KDR (0.69) KDRLMNAPOLBMEN1KMT2A
SCHEMBL4553298 0.85 KDR (0.59) KDRLMNAPOLBMEN1KMT2A
SCHEMBL13867819 0.85 KDR (0.68) KDRLMNAPOLBMEN1KMT2A
SCHEMBL13867806 0.84 KDR (0.67) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL187444 0.84 KDR (0.72) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL13867815 0.84 KDR (0.66) KDRLMNAPOLBMEN1KMT2A

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