SCHEMBL6313731

SCHEMBL6313731

Nc1ncc(-c2ccc(Oc3ccccc3)cc2)c(Nc2cnc3ccccc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.41
TNF P01375 1/20 0.41
GRM4 Q14833 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
IGF1R P08069 2/20 0.40
BCL6 P41182 2/20 0.40
DHFR P00374 1/20 0.40
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
SYK P43405 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ALPL P05186 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
SCHEMBL6320672 0.87 MAPT (0.50) PIK3CADHFRNPSR1RAB9AKMT2A
SCHEMBL6318862 0.86 DHFR (0.56) PIK3CATNFGRM4ADORA2AADORA1
SCHEMBL6318945 0.85 TNF (0.44) PIK3CATNFGRM4BCL6DHFR
SCHEMBL6315288 0.84 PDGFRB (0.49) PIK3CATNFGRM4ADORA2AADORA1
SCHEMBL6312550 0.81 CA12 (0.56) PIK3CATNFGRM4KDRRAB9A
SCHEMBL6315312 0.80 IGF1R (0.54) ADORA2AADORA1IGF1RKDRTEK
SCHEMBL6321509 0.79 IGF1R (0.60) ADORA2AADORA1IGF1RKDRTEK
SCHEMBL6315310 0.78 ADORA1 (0.45) PIK3CATNFADORA2AADORA1IGF1R
SCHEMBL6312244 0.78 CYP1A2 (0.52) PIK3CATNFADORA2AADORA1TEK
SCHEMBL6313634 0.78 ALPL (0.49) PIK3CATNFADORA2AADORA1IGF1R

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-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed