SCHEMBL6318985

SCHEMBL6318985

Cc1ccc(Cl)cc1-c1cnc(N)nc1Nc1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.46
TNF P01375 1/20 0.46
ALPL P05186 3/20 0.44
TMPRSS4 Q9NRS4 1/20 0.43
AGPAT2 O15120 2/20 0.42
IGF1R P08069 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BCL6 P41182 1/20 0.41
POLB P06746 2/20 0.41
KDR P35968 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM4 Q14833 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
SCHEMBL6313634 0.85 ALPL (0.49) PIK3CATNFALPLIGF1RMAPT
SCHEMBL6311387 0.82 IGF1R (0.47) PIK3CATNFALPLIGF1RKDR
SCHEMBL6314480 0.78 IGF1R (0.46) PIK3CATNFALPLIGF1RBCL6
SCHEMBL6315288 0.76 PDGFRB (0.49) PIK3CATNFBCL6POLBKDR
SCHEMBL6318862 0.76 DHFR (0.56) PIK3CATNFIGF1RBCL6KDR
SCHEMBL6318945 0.75 TNF (0.44) PIK3CATNFALPLMEN1KMT2A
SCHEMBL6317775 0.75 BCL6 (0.42) PIK3CATNFALPLMEN1KMT2A
SCHEMBL6314083 0.74 BCL6 (0.44) PIK3CATNFALPLMEN1KMT2A
SCHEMBL6315310 0.73 ADORA1 (0.45) PIK3CATNFALPLIGF1RMEN1
SCHEMBL6313731 0.72 PIK3CA (0.41) PIK3CATNFALPLIGF1RKMT2A

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