SCHEMBL14348404

SCHEMBL14348404

O=C(NCCc1cnc[nH]1)c1cccc(-c2ccnc(Nc3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.59
SRC P12931 6/20 0.59
EGFR P00533 2/20 0.59
BCR P11274 7/20 0.58
NAMPT P43490 1/20 0.58
CSNK2A1 P68400 1/20 0.56
PRKCA P17252 5/20 0.55
PRKCD Q05655 4/20 0.55
PDGFRB P09619 2/20 0.55
PDGFRA P16234 2/20 0.55
PRKD3 O94806 1/20 0.55
PRKCG P05129 1/20 0.55
PRKCB P05771 1/20 0.55
PRKCH P24723 1/20 0.55
PRKCI P41743 1/20 0.55
PRKCE Q02156 1/20 0.55
PRKCQ Q04759 1/20 0.55
PRKCZ Q05513 1/20 0.55
PRKD1 Q15139 1/20 0.55
CYP3A4 P08684 2/20 0.54

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
SCHEMBL14348428 0.85 NAMPT (0.57) NAMPTCSNK2A1CYP3A4KMT2AMKNK1
SCHEMBL8352521 0.79 ABL1 (0.58) ABL1SRCEGFRBCRPRKCA
SCHEMBL21858046 0.78 CYP3A4 (0.67) NAMPTCYP3A4KMT2A
SCHEMBL19303133 0.77 KMT2A (0.67) NAMPTCYP3A4KMT2A
SCHEMBL5379812 0.76 ABL1 (0.77) ABL1SRCEGFRBCRPRKCA
SCHEMBL1394015 0.75 NAMPT (0.70) NAMPTCYP3A4KMT2AGSK3B
SCHEMBL8349452 0.75 JAK2 (0.61) ABL1SRCEGFRBCRPRKCA
SCHEMBL8349712 0.75 ABL1 (0.53) ABL1SRCEGFRBCRPRKCA
SCHEMBL8351175 0.74 HPGD (0.54) ABL1SRCEGFRBCRPRKCA
SCHEMBL6258131 0.74 ABL1 (1.00) ABL1SRCEGFRBCRPRKCA

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
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed