SCHEMBL21178417

SCHEMBL21178417

Cc1noc(C)c1-c1ccc2c(Br)c[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.42
CCNK O75909 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CDK7 P50613 2/20 0.42
CDK9 P50750 2/20 0.42
CCNH P51946 2/20 0.42
CDK12 Q9NYV4 2/20 0.42
BRD4 O60885 11/20 0.41
BRD2 P25440 1/20 0.37
MTOR P42345 1/20 0.37
CYP1A2 P05177 5/20 0.37
CLK4 Q9HAZ1 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
AXL P30530 1/20 0.36
CYP2C19 P33261 3/20 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
SCHEMBL17556260 0.78 BRD4 (0.50) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL17807845 0.78 BRD4 (0.44) BRD4BRD2CYP1A2CLK4ALDH1A1
SCHEMBL21178708 0.76 L3MBTL1 (0.37) ALDH1A1TSHRAXLHSD17B10
SCHEMBL21178314 0.76 ACHE (0.40) AXL
SCHEMBL21178421 0.76 BRD4 (0.41) BRD4BRD2CYP1A2CLK4ALDH1A1
SCHEMBL24087353 0.75 JAK2 (0.42) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL21178901 0.75 AXL (0.36) CCNT1CDK2CDK9AXL
SCHEMBL21178323 0.74 BRD4 (0.55) BRD4BRD2CYP1A2CLK4ALDH1A1
SCHEMBL21178739 0.72 BRD4 (0.40) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL21178664 0.71 NSD3 (0.46) CCNT1CCNKCCNE1CDK2CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
EP-3740206-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
WO-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed