SCHEMBL15925243

SCHEMBL15925243

Cc1nc2c(C)ccnc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.40
BRAF P15056 2/20 0.39
NSD2 O96028 1/20 0.39
CASP6 P55212 1/20 0.39
PARP1 P09874 2/20 0.38
PARP14 Q460N5 1/20 0.37
PARP11 Q9NR21 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
AURKA O14965 1/20 0.36

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
SCHEMBL15925247 0.84 DAO (0.39) DAOBRAFNSD2CASP6PARP1
SCHEMBL14764399 0.80 BRAF (0.45) BRAFPARP1
SCHEMBL9909695 0.80 BRAF (0.36) DAOBRAFNSD2CASP6AURKA
SCHEMBL1665498 0.77 PARP1 (0.42) PARP1
SCHEMBL4370028 0.75 ADORA1 (0.41) PARP1PARP14PARP11PARP2AURKA
SCHEMBL12778304 0.74 CCR1 (0.38) AURKA
SCHEMBL21620891 0.74 NOS3 (0.41)
SCHEMBL21620456 0.74 CCNB2 (0.40)
SCHEMBL8558723 0.74 PSMD14 (0.38) AURKA
SCHEMBL7832083 0.74 KDM4E (0.36) PARP1PARP14PARP11PARP2

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-2229391-B1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-08-06 EP disclosed