SCHEMBL18898329

SCHEMBL18898329

CC(C)Nc1nccc(C(C)(C)Nc2cncnc2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 5/20 0.39
▸ HRH4 Q9H3N8 4/20 0.37
▸ IDH1 O75874 5/20 0.36
▸ IDH2 P48735 2/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ MAP2K2 P36507 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ FLT3 P36888 1/20 0.34
▸ CTPS1 P17812 1/20 0.34
▸ MAPK9 P45984 3/20 0.34
▸ MAPK10 P53779 3/20 0.34
▸ SYK P43405 2/20 0.33
▸ KCNH3 Q9ULD8 1/20 0.32

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
SCHEMBL24650224 0.76 SYK (0.47) MAPK8HRH4IDH1IDH2ABL1
SCHEMBL12411108 0.73 IDH1 (0.50) MAPK8HRH4IDH1IDH2ABL1
SCHEMBL8000248 0.71 IDH1 (0.53) MAPK8HRH4IDH1IDH2SYK
SCHEMBL19203477 0.70 MAPK8 (0.39) MAPK8HRH4IDH1ABL1LCK
SCHEMBL5516162 0.64 TDP1 (0.44) KCNH3
SCHEMBL91488 0.64 HRH4 (0.50) MAPK8HRH4ABL1LCKCSF1R
SCHEMBL2844731 0.64 ABL1 (0.52) MAPK8HRH4ABL1LCKCSF1R
SCHEMBL10219318 0.63 HTR7 (0.53) IDH1LCKSYK
SCHEMBL84413 0.62 HRH4 (0.49) MAPK8HRH4IDH1ABL1LCK
SCHEMBL14999425 0.62 HRH4 (0.49) MAPK8HRH4ABL1LCKCSF1R

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
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 — — US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 — — US disclosed
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