SCHEMBL2178686

SCHEMBL2178686

CCCNc1cc(Nc2ccc(N3CCOCC3)cc2)ncn1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.63
JAK2 O60674 9/20 0.62
JAK1 P23458 9/20 0.62
ABL1 P00519 3/20 0.56
BCR P11274 3/20 0.56
CD274 Q9NZQ7 1/20 0.56
TYK2 P29597 1/20 0.55
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
AHR P35869 1/20 0.49
HTT P42858 1/20 0.49
MAPK10 P53779 1/20 0.48
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48

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
SCHEMBL12482572 0.88 JAK2 (0.62) JAK3JAK2JAK1ABL1BCR
SCHEMBL12487942 0.86 JAK2 (0.60) JAK3JAK2JAK1ABL1BCR
SCHEMBL374409 0.83 CD274 (0.59) JAK3JAK2JAK1ABL1BCR
SCHEMBL374117 0.79 CD274 (0.57) JAK3JAK2JAK1ABL1BCR
SCHEMBL12963107 0.78 GAA (0.59) MAPTMAPK1HTT
SCHEMBL2194198 0.78 JAK2 (0.56) JAK3JAK2JAK1ABL1BCR
SCHEMBL374420 0.78 JAK1 (0.66) JAK3JAK2JAK1CD274TYK2
SCHEMBL28290063 0.77 JAK2 (0.67) JAK3JAK2JAK1TYK2
SCHEMBL14660127 0.77 CD274 (0.57) JAK3JAK2JAK1ABL1BCR
SCHEMBL12482797 0.75 JAK2 (0.53) JAK3JAK2JAK1CD274TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519501-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP claimed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 WO claimed