SCHEMBL672170

SCHEMBL672170

N#Cc1cnc(-c2ccncn2)c(N)c1NC1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.36
▸ NRAS P01111 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ PRKCI P41743 4/20 0.34
▸ AXL P30530 2/20 0.34
▸ RPS6KB1 P23443 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PRKCZ Q05513 3/20 0.32
▸ PRKD2 Q9BZL6 1/20 0.32
▸ PDPK1 O15530 1/20 0.32

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
SCHEMBL672169 0.84 MAP4K1 (0.36) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL671778 0.82 JAK2 (0.41) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL672172 0.79 PRKCI (0.41) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL671780 0.74 PRKCI (0.40) NRASFLT3PRKCIRPS6KB1CHEK1
SCHEMBL671777 0.74 ROCK1 (0.39) MAP4K1PRKCIAXLCHEK1PRKCZ
SCHEMBL672171 0.74 PRKCI (0.42) MAP4K1PRKCIRPS6KB1CHEK1PDPK1
SCHEMBL671779 0.70 BRD4 (0.40) MAP4K1PRKCIRPS6KB1CHEK1PDPK1
SCHEMBL28188382 0.67 HRH3 (0.49) MAP4K1PRKCIRPS6KB1PRKCZPRKD2
SCHEMBL28188383 0.67 HRH3 (0.49) MAP4K1PRKCIRPS6KB1PRKCZPRKD2
SCHEMBL1032977 0.64 BRD4 (0.44) CCNT1CCNKCCNE1CDK2CDK9

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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