SCHEMBL21184424

SCHEMBL21184424

CCCCc1cnc(NC2CCCC2)nc1C1=CCc2cc(N)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.36
▸ TYRO3 Q06418 2/20 0.36
▸ MERTK Q12866 2/20 0.36
▸ GAS6 Q14393 2/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ PRKAB2 O43741 4/20 0.35
▸ PRKAG1 P54619 4/20 0.35
▸ PRKAA2 P54646 4/20 0.35
▸ PRKAA1 Q13131 4/20 0.35
▸ PRKAG3 Q9UGI9 4/20 0.35
▸ PRKAG2 Q9UGJ0 4/20 0.35
▸ PRKAB1 Q9Y478 4/20 0.35
▸ CCNK O75909 9/20 0.35
▸ CDK12 Q9NYV4 9/20 0.35
▸ CCNT1 O60563 8/20 0.35
▸ CCNE1 P24864 8/20 0.35
▸ CDK2 P24941 8/20 0.35
▸ CDK9 P50750 8/20 0.35
▸ CDK7 P50613 7/20 0.35
▸ CCNH P51946 7/20 0.35

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
SCHEMBL21184570 0.63 CDK7 (0.34) ADORA1CCNKCDK12CCNT1CCNE1
SCHEMBL20412352 0.60 PTPN11 (0.43) FLT3ADORA1CCNKCDK12CCNT1
SCHEMBL19600354 0.60 CDK7 (0.38) FLT3TYRO3MERTKADORA1CCNK
SCHEMBL9704728 0.59 PDE4A (0.43) FLT3TYRO3MERTKGAS6CDK2
SCHEMBL18069760 0.59 CDK7 (0.42) FLT3TYRO3MERTKADORA1CCNT1
SCHEMBL9704732 0.59 PAK1 (0.53) FLT3TYRO3MERTKGAS6PRKAB2
SCHEMBL16691171 0.59 KDM4E (0.51) FLT3TYRO3MERTKGAS6ADORA1
SCHEMBL5381974 0.58 TLR8 (0.42) —
SCHEMBL13801653 0.57 PDE4A (0.41) —
SCHEMBL20155193 0.57 PAK1 (0.39) ADORA1CDK2CDK9CDK7CDK4

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-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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