SCHEMBL672169

SCHEMBL672169

N#Cc1c(-c2ccncn2)ncc(N)c1NC1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.36
▸ PRKCI P41743 3/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ PRKCZ Q05513 4/20 0.34
▸ PRKD2 Q9BZL6 2/20 0.34
▸ RPS6KB1 P23443 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ NRAS P01111 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL672170 0.84 CCNT1 (0.37) MAP4K1PRKCICHEK1PRKCZPRKD2
SCHEMBL672171 0.82 PRKCI (0.42) MAP4K1PRKCICHEK1RPS6KB1PDPK1
SCHEMBL671777 0.81 ROCK1 (0.39) MAP4K1PRKCICHEK1PRKCZAXL
SCHEMBL672172 0.77 PRKCI (0.41) MAP4K1PRKCICHEK1RPS6KB1NRAS
SCHEMBL671778 0.76 JAK2 (0.41) MAP4K1PRKCICHEK1JAK2NRAS
SCHEMBL671779 0.74 BRD4 (0.40) MAP4K1PRKCICHEK1RPS6KB1PDPK1
SCHEMBL671780 0.70 PRKCI (0.40) PRKCICHEK1RPS6KB1NRASFLT3
SCHEMBL17961774 0.67 KDM4E (0.46) PRKCICHEK1RPS6KB1CCNT1CCNK
SCHEMBL17961772 0.67 KDM4E (0.46) PRKCICHEK1RPS6KB1CCNT1CCNK
SCHEMBL28188383 0.67 HRH3 (0.49) MAP4K1PRKCIPRKCZPRKD2RPS6KB1

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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