SCHEMBL672172

SCHEMBL672172

N#Cc1cc(N)c(-c2ccncn2)nc1NC1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 10/20 0.41
▸ MAP4K1 Q92918 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ ATAD2 Q6PL18 2/20 0.37
▸ NRAS P01111 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ RPS6KB1 P23443 2/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ CCNT1 O60563 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ HRH4 Q9H3N8 1/20 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
SCHEMBL671780 0.82 PRKCI (0.40) PRKCIBRD4ATAD2NRASFLT3
SCHEMBL672170 0.79 CCNT1 (0.37) PRKCIMAP4K1NRASFLT3RPS6KB1
SCHEMBL672171 0.78 PRKCI (0.42) PRKCIMAP4K1RPS6KB1PDPK1CHEK1
SCHEMBL672169 0.77 MAP4K1 (0.36) PRKCIMAP4K1NRASFLT3RPS6KB1
SCHEMBL671777 0.74 ROCK1 (0.39) PRKCIMAP4K1BRD4ATAD2CHEK1
SCHEMBL671779 0.74 BRD4 (0.40) PRKCIMAP4K1BRD4ATAD2RPS6KB1
SCHEMBL671778 0.73 JAK2 (0.41) PRKCIMAP4K1NRASFLT3CCNT1
SCHEMBL1032977 0.68 BRD4 (0.44) PRKCIBRD4ATAD2NRASFLT3
SCHEMBL1032978 0.68 BRD4 (0.44) PRKCIBRD4ATAD2NRASFLT3
SCHEMBL1033268 0.67 BRD4 (0.44) PRKCIBRD4ATAD2NRASFLT3

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-2606051-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2013-06-26 — — EP disclosed
WO-2012022045-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 — — WO disclosed
WO-2012022265-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 — — WO disclosed
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