SCHEMBL671780

SCHEMBL671780

N#Cc1ccc(-c2ccncn2)nc1NC1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 12/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ ATAD2 Q6PL18 2/20 0.38
▸ RPS6KB1 P23443 2/20 0.37
▸ NRAS P01111 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PDPK1 O15530 1/20 0.37

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
SCHEMBL672172 0.82 PRKCI (0.41) PRKCICHEK1BRD4ATAD2RPS6KB1
SCHEMBL671779 0.78 BRD4 (0.40) PRKCICHEK1BRD4ATAD2RPS6KB1
SCHEMBL671778 0.77 JAK2 (0.41) PRKCICHEK1NRASFLT3IRAK4
SCHEMBL1033268 0.76 BRD4 (0.44) PRKCICHEK1BRD4ATAD2RPS6KB1
SCHEMBL1033270 0.76 BRD4 (0.44) PRKCICHEK1BRD4ATAD2RPS6KB1
SCHEMBL672171 0.75 PRKCI (0.42) PRKCICHEK1RPS6KB1IRAK4PDPK1
SCHEMBL1032977 0.74 BRD4 (0.44) PRKCICHEK1BRD4ATAD2RPS6KB1
SCHEMBL1032978 0.74 BRD4 (0.44) PRKCICHEK1BRD4ATAD2RPS6KB1
SCHEMBL672170 0.74 CCNT1 (0.37) PRKCICHEK1RPS6KB1NRASFLT3
SCHEMBL671777 0.73 ROCK1 (0.39) PRKCICHEK1BRD4ATAD2

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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