SCHEMBL18869873

SCHEMBL18869873

CCCC(C)(C)c1cnc2c(c1)CN(Cc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
DHFR P00374 1/20 0.46
TP53 P04637 5/20 0.45
MAPT P10636 3/20 0.45
C5AR1 P21730 1/20 0.42
REV1 Q9UBZ9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 2/20 0.39
HTR2B P41595 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL14123348 0.87 KMT2A (0.56) KMT2ANPC1RAB9AMEN1DHFR
SCHEMBL18869827 0.79 CYP2C19 (0.40) KMT2ARAB9AMEN1TP53MAPT
SCHEMBL14135200 0.79 MEN1 (0.59) KMT2ANPC1RAB9AMEN1DHFR
SCHEMBL18869954 0.79 DRD2 (0.35) TP53MAPTGAAHRH1
SCHEMBL14853095 0.78 MEN1 (0.60) KMT2ANPC1RAB9AMEN1DHFR
SCHEMBL28169331 0.76 MEN1 (0.61) KMT2ANPC1RAB9AMEN1DHFR
SCHEMBL6772037 0.75 MEN1 (0.60) KMT2ANPC1RAB9AMEN1DHFR
SCHEMBL13226236 0.75 MEN1 (0.60) KMT2ANPC1RAB9AMEN1DHFR
SCHEMBL21065437 0.75 MEN1 (0.56) KMT2ANPC1RAB9AMEN1DHFR
SCHEMBL20319348 0.74 MEN1 (0.38) KMT2ANPC1RAB9AMEN1DHFR

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-9650391-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS INC. (US) 2017-05-16 US disclosed