SCHEMBL8351616

SCHEMBL8351616

O=C(NCc1cccc(Cl)c1Cl)c1cccc(-c2ccnc(Nc3ccccc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.52
▸ BCR P11274 5/20 0.52
▸ SRC P12931 4/20 0.52
▸ PRKCA P17252 4/20 0.52
▸ PDGFRB P09619 3/20 0.52
▸ PDGFRA P16234 3/20 0.52
▸ PRKCD Q05655 3/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ PRKCG P05129 1/20 0.52
▸ PRKCB P05771 1/20 0.52
▸ PRKCH P24723 1/20 0.52
▸ PRKCI P41743 1/20 0.52
▸ PRKCE Q02156 1/20 0.52
▸ PRKCQ Q04759 1/20 0.52
▸ PRKCZ Q05513 1/20 0.52
▸ PRKD1 Q15139 1/20 0.52
▸ EGFR P00533 2/20 0.52
▸ CAMK2D Q13557 3/20 0.50
▸ MAPK8 P45983 3/20 0.50
▸ PIK3CG P48736 2/20 0.50

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
SCHEMBL14374935 0.89 BTK (0.49) ABL1BCRSRCPRKCAPDGFRB
SCHEMBL8349712 0.86 ABL1 (0.53) ABL1BCRSRCPRKCAPDGFRB
SCHEMBL8352521 0.85 ABL1 (0.58) ABL1BCRSRCPRKCAPDGFRB
SCHEMBL8352106 0.84 SMN1; SMN2 (0.52) PRKCAMAPK8LMNAMAPTSMN1; SMN2
SCHEMBL8349425 0.82 ABL1 (0.53) ABL1BCRSRCPRKCAPDGFRB
SCHEMBL8349452 0.80 JAK2 (0.61) ABL1BCRSRCPRKCAPDGFRB
SCHEMBL4382510 0.80 JAK2 (0.68) ABL1BCRSRCEGFRCAMK2D
SCHEMBL8351175 0.80 HPGD (0.54) ABL1BCRSRCPRKCAPDGFRB
SCHEMBL14021170 0.78 CAMK2D (0.57) ABL1BCRPDGFRBPDGFRACAMK2D
SCHEMBL5379812 0.78 ABL1 (0.77) ABL1BCRSRCPRKCAPDGFRB

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 3 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
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 — — WO disclosed
Send feedback