SCHEMBL3978591

SCHEMBL3978591

COc1ccc(N(N)C(=O)C2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
ESR2 Q92731 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GAA P10253 2/20 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
SCHEMBL18930812 0.81 HSD17B1 (0.52) NPC1RAB9AKMT2AKDM4EMAPT
SCHEMBL6424261 0.77 HTT (0.40) NPC1RAB9AKMT2ATP53CES2
SCHEMBL6420648 0.77 HTT (0.43) RAB9AKMT2AMAPTGAAPOLB
SCHEMBL6429633 0.77 HTT (0.59) NPC1RAB9AKMT2AKDM4EMAPT
SCHEMBL28904603 0.77 CA1 (0.48) NPC1RAB9AKMT2ACA1CA2
SCHEMBL22501255 0.77 CA1 (0.53) NPC1RAB9AKDM4ECA1CA2
SCHEMBL978334 0.77 CA1 (0.50) NPC1RAB9AKMT2AKDM4ECA1
SCHEMBL4598838 0.75 GPR88 (0.48) NPC1RAB9AKMT2AGAAALDH1A1
SCHEMBL19265536 0.75 CNR2 (0.50) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL22251873 0.72 CA1 (0.53) NPC1RAB9AKMT2ACA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057164-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-05-13 EP disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO disclosed