SCHEMBL672171

SCHEMBL672171

N#Cc1c(NC2CCNC2)ncc(N)c1-c1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 13/20 0.42
▸ CHEK1 O14757 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.39
▸ RPS6KB1 P23443 2/20 0.37
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PDPK1 O15530 1/20 0.36

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 0.82 MAP4K1 (0.36) PRKCICHEK1MAP4K1RPS6KB1USP2
SCHEMBL671779 0.82 BRD4 (0.40) PRKCICHEK1MAP4K1RPS6KB1USP2
SCHEMBL672172 0.78 PRKCI (0.41) PRKCICHEK1MAP4K1RPS6KB1PDPK1
SCHEMBL671777 0.75 ROCK1 (0.39) PRKCICHEK1MAP4K1
SCHEMBL671780 0.75 PRKCI (0.40) PRKCICHEK1RPS6KB1IRAK4PDPK1
SCHEMBL672170 0.74 CCNT1 (0.37) PRKCICHEK1MAP4K1RPS6KB1USP2
SCHEMBL671778 0.72 JAK2 (0.41) PRKCICHEK1MAP4K1USP2ALDH1A1
SCHEMBL672348 0.69 ROCK1 (0.33) MAP4K1
SCHEMBL17961774 0.67 KDM4E (0.46) PRKCICHEK1RPS6KB1ALDH1A1PDPK1
SCHEMBL17961772 0.67 KDM4E (0.46) PRKCICHEK1RPS6KB1ALDH1A1PDPK1

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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