SCHEMBL21178708

SCHEMBL21178708

Cc1nc(-c2ccc3c(Br)c[nH]c3n2)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
AXL P30530 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 3/20 0.35
PLK1 P53350 1/20 0.35
MAPT P10636 3/20 0.34
HSD17B10 Q99714 3/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL21178314 0.77 ACHE (0.40) AXLMAPTLMNAADRA1A
SCHEMBL21178417 0.76 CCNT1 (0.42) AXLHSD17B10ALDH1A1TSHR
SCHEMBL21178901 0.73 AXL (0.36) AXL
SCHEMBL21188052 0.73 BRD4 (0.42) L3MBTL1AXLCA12CA1CA2
SCHEMBL29605205 0.71 ADORA2A (0.50) AXLKDM4E
SCHEMBL14635390 0.71 ADORA2A (0.50) AXLKDM4E
SCHEMBL24087444 0.70 L3MBTL1 (0.41) L3MBTL1AXLCA12CA1CA2
SCHEMBL21178483 0.69 AXL (0.37) AXL
SCHEMBL21188515 0.69 AXL (0.37) AXL
SCHEMBL28634050 0.67 AXL (0.52) AXLPIM1

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 3 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
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