SCHEMBL6315310

SCHEMBL6315310

COc1cc(-c2cnc(N)nc2Nc2cnc3ccccc3c2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.45
IGF1R P08069 4/20 0.44
ALPL P05186 7/20 0.42
DHFR P00374 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CA P42336 2/20 0.42
EGFR P00533 1/20 0.42
INSR P06213 1/20 0.42
MET P08581 1/20 0.42
CDK2 P24941 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
GAK O14976 1/20 0.42
BCL6 P41182 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA2A P29274 1/20 0.41
TNF P01375 1/20 0.40

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
SCHEMBL6313033 0.86 ALPL (0.42) ADORA1IGF1RALPLDHFRMEN1
SCHEMBL6317900 0.82 IMPDH2 (0.52)
SCHEMBL6318862 0.82 DHFR (0.56) ADORA1IGF1RDHFRPIK3CAKDR
SCHEMBL6313704 0.81 IGF1R (0.59) IGF1RPIK3CA
SCHEMBL6312667 0.81 ADORA1 (0.40) ADORA1IGF1RALPLMEN1KMT2A
SCHEMBL6311387 0.81 IGF1R (0.47) IGF1RALPLPIK3CAEGFRINSR
SCHEMBL6318945 0.79 TNF (0.44) ALPLDHFRMEN1KMT2APIK3CA
SCHEMBL6312312 0.78 IGF1R (0.49) ADORA1IGF1RPIK3CAEGFRINSR
SCHEMBL6313731 0.78 PIK3CA (0.41) ADORA1IGF1RALPLDHFRKMT2A
SCHEMBL6315288 0.77 PDGFRB (0.49) ADORA1PIK3CAKDRBCL6SMN1; SMN2

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