SCHEMBL21188515

SCHEMBL21188515

CC1=C(c2ccc3c(Br)c[nH]c3n2)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.37
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29605205 0.71 ADORA2A (0.50) AXLADORA2AADORA1MEN1KMT2A
SCHEMBL14635390 0.71 ADORA2A (0.50) AXLADORA2AADORA1MEN1KMT2A
SCHEMBL28634050 0.70 AXL (0.52) AXLADORA2AADORA1CCNT1CCNA2
SCHEMBL21178314 0.69 ACHE (0.40) AXLADORA2AADORA1
SCHEMBL21178708 0.69 L3MBTL1 (0.37) AXL
SCHEMBL21178483 0.69 AXL (0.37) AXL
SCHEMBL21178417 0.68 CCNT1 (0.42) AXLCCNT1CDK2CDK9MEN1
SCHEMBL21178901 0.68 AXL (0.36) AXLCCNT1CCNA2CDK2CDK9
SCHEMBL9695804 0.66 ADORA2A (0.55) ADORA2AADORA1MEN1KMT2A
SCHEMBL21178486 0.65 AXL (0.36) AXLCDK2

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
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed