SCHEMBL9564262

SCHEMBL9564262

Nc1nc(N)nc(NC(=O)c2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.60
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
ADORA3 P0DMS8 4/20 0.53
F2 P00734 2/20 0.51
F12 P00748 1/20 0.51
ADORA2A P29274 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2C19 P33261 1/20 0.49
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49

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
SCHEMBL10083761 0.90 ADORA1 (0.54) ADORA1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL821475 0.89 L3MBTL1 (0.56) ADORA1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL3945635 0.89 ADORA1 (0.60) ADORA1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL3299661 0.86 ADORA1 (0.70) ADORA1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL821465 0.85 KMT2A (0.49) ADORA1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL6576666 0.85 ADORA1 (0.49) ADORA1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL28580981 0.84 MPO (0.50) ADORA1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL11166514 0.84 ADORA1 (0.63) ADORA1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL20072315 0.82 ADORA1 (0.43) ADORA1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL11591466 0.82 HDAC1 (0.60) LMNASMN1; SMN2KMT2AMEN1HDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541966-A2 Process for preparing amide derivatives from halomines and acid halides AMERICAN CYANAMID COMPANY (US) 1993-05-19 EP disclosed