SCHEMBL16494693

SCHEMBL16494693

Cc1cc2cc(N(C)c3ccnc(Nc4cccc5c4CC(=O)N5)n3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.43
▸ KDR P35968 15/20 0.37
▸ PARP1 P09874 3/20 0.37
▸ KIT P10721 4/20 0.37
▸ PDGFRA P16234 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ CYP2C19 P33261 4/20 0.37
▸ FGFR1 P11362 2/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35

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
SCHEMBL16495136 0.87 JAK2 (0.42) JAK2KDRPARP1KITPDGFRA
SCHEMBL16494828 0.87 JAK2 (0.44) JAK2KDRPARP1KITPDGFRA
SCHEMBL16494274 0.86 JAK2 (0.43) JAK2KDRPARP1CYP3A4CYP2D6
SCHEMBL16494255 0.84 JAK2 (0.43) JAK2KDRKITPDGFRACYP3A4
SCHEMBL16494404 0.84 JAK2 (0.44) JAK2KDRPARP1KITPDGFRA
SCHEMBL11915869 0.80 JAK2 (0.45) JAK2KDRPARP1KITPDGFRA
SCHEMBL16494695 0.79 JAK2 (0.48) JAK2
SCHEMBL16494732 0.77 JAK2 (0.35) JAK2KDRPARP1CYP3A4CYP2D6
SCHEMBL16495119 0.76 CYP1A2 (0.39) JAK2KDRPARP1
SCHEMBL16495003 0.75 JAK2 (0.36) JAK2KDRPARP1KITPDGFRA

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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