SCHEMBL9513664

SCHEMBL9513664

CCNC(=O)N1CCN(c2ccnc(C)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
TRPV1 Q8NER1 8/20 0.47
JUN P05412 1/20 0.47
CDK2 P24941 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SORD Q00796 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
MTNR1B P49286 1/20 0.44
MLLT1 Q03111 1/20 0.44
LSS P48449 1/20 0.43

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
SCHEMBL14276896 0.80 MAP4K4 (0.51) TRPV1SORDLSS
SCHEMBL6977620 0.77 HRH3 (0.48) TRPV1KDM4ESORDLSS
SCHEMBL9513674 0.75 KDM4E (0.59) KDM4E
SCHEMBL14029975 0.72 HRH4 (0.67) KDM4ESORD
SCHEMBL24799135 0.71 SORD (0.48) KMT2ASORDLSS
SCHEMBL3167113 0.71 CXCR4 (0.49) KMT2AKDM4ESORD
SCHEMBL6982738 0.71 SORD (0.41) SORDPIK3CDPIK3CALSS
SCHEMBL6975264 0.71 GPR119 (0.54) KMT2A
SCHEMBL9514848 0.71 ALDH1A1 (0.64) KMT2AKDM4E
SCHEMBL15698589 0.71 SORD (0.52) KMT2ASORD

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-0384370-B1 Substituted pyrimidine derivatives, process for their preparation, and their use as tool HOECHST AG (DE) 1993-11-03 EP disclosed
US-5138058-A Diabetic screening HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0384370-A1 Substituted pyrimidine derivatives, process for their preparation, and their use as tool HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed