SCHEMBL6313634

SCHEMBL6313634

COc1ccc(C)c(-c2cnc(N)nc2Nc2cnc3ccccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.49
IGF1R P08069 4/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CA P42336 4/20 0.46
TNF P01375 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CNR2 P34972 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
SCHEMBL6314480 0.89 IGF1R (0.46) ALPLIGF1RLMNASMN1; SMN2PIK3CA
SCHEMBL6311387 0.86 IGF1R (0.47) ALPLIGF1RLMNASMN1; SMN2PIK3CA
SCHEMBL6318985 0.85 PIK3CA (0.46) ALPLIGF1RSMN1; SMN2PIK3CATNF
SCHEMBL6313711 0.82 PIK3CA (0.41) ALPLLMNASMN1; SMN2PIK3CAKDM4E
SCHEMBL6313459 0.82 PIK3CA (0.41) ALPLLMNASMN1; SMN2PIK3CAKDM4E
SCHEMBL6313731 0.78 PIK3CA (0.41) ALPLIGF1RPIK3CATNFADORA2A
SCHEMBL6318862 0.77 DHFR (0.56) IGF1RPIK3CATNFKDM4EADORA2A
SCHEMBL6315310 0.76 ADORA1 (0.45) ALPLIGF1RLMNASMN1; SMN2PIK3CA
SCHEMBL6315288 0.74 PDGFRB (0.49) SMN1; SMN2PIK3CATNFKDM4EALDH1A1
SCHEMBL6313077 0.74 PIK3CA (0.47) IGF1RPIK3CA

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