SCHEMBL16494732

SCHEMBL16494732

Cc1cc(N(C)c2ccc3[nH]ccc3c2)nc(Nc2cccc3c2CC(=O)N3)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.35
▸ DHPS P49366 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD5 P21918 1/20 0.31
▸ HTR2A P28223 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
SCHEMBL16494619 0.94 JAK2 (0.35) JAK2DHPSPARP1TAAR1KDR
SCHEMBL16494828 0.88 JAK2 (0.44) JAK2PARP1CYP3A4CYP2D6CYP2C9
SCHEMBL16495119 0.87 CYP1A2 (0.39) JAK2DHPSPARP1TAAR1SLC6A2
SCHEMBL16495003 0.86 JAK2 (0.36) JAK2DHPSPARP1TAAR1CYP3A4
SCHEMBL16494404 0.81 JAK2 (0.44) JAK2PARP1CYP3A4CYP2D6CYP2C9
SCHEMBL16494733 0.78 JAK2 (0.38) JAK2DHPSPRKCQKDM4ELMNA
SCHEMBL16494693 0.77 JAK2 (0.43) JAK2PARP1CYP3A4CYP2D6CYP2C9
SCHEMBL16494255 0.75 JAK2 (0.43) JAK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16494274 0.75 JAK2 (0.43) JAK2PRKCDPARP1CYP3A4CYP2D6
SCHEMBL16495136 0.74 JAK2 (0.42) JAK2PARP1CYP3A4CYP2D6CYP2C9

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-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 — — EP disclosed
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