SCHEMBL8812882

SCHEMBL8812882

COc1cc2cnc(Nc3ccc(Nc4ccccc4)cc3)nc2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.57
PDGFRA P16234 3/20 0.57
CDK1 P06493 2/20 0.53
CDK4 P11802 2/20 0.53
CCNB1 P14635 2/20 0.53
CCND1 P24385 2/20 0.53
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
FGFR2 P21802 1/20 0.50
MAP2K1 Q02750 1/20 0.50
EGFR P00533 2/20 0.49
RET P07949 1/20 0.49
KDR P35968 1/20 0.49
LCK P06239 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
AURKA O14965 1/20 0.47

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
SCHEMBL7757002 0.97 PDGFRB (0.59) PDGFRBPDGFRACDK1CDK4CCNB1
SCHEMBL5309393 0.90 RIPK2 (0.57) PDGFRBPDGFRACDK1CDK4CCNB1
SCHEMBL7801861 0.86 KDM4E (0.55) PDGFRBPDGFRACDK2MAP2K1EGFR
SCHEMBL360021 0.86 EGFR (0.53) PDGFRBPDGFRAMAP2K1EGFRRET
Hydrochloric Acid SCHEMBL8809017 0.85 PDGFRB (0.62) PDGFRBPDGFRACDK1CDK4CCNB1
Hydrochloric Acid SCHEMBL28182948 0.85 CDK4 (0.50) PDGFRBPDGFRACDK1CDK4CCNB1
SCHEMBL7799220 0.83 ABCG2 (0.65) CDK1EGFRKDRKDM4EBRAF
SCHEMBL7753469 0.83 FGFR1 (0.56) PDGFRBPDGFRACDK2EGFRRET
SCHEMBL7800405 0.83 EGFR (0.56) PDGFRBPDGFRACDK1CDK4CCNB1
SCHEMBL28221880 0.83 PDGFRB (0.64) PDGFRBPDGFRAEGFRLCKALDH1A1

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
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed