SCHEMBL8349440

SCHEMBL8349440

Cc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C(=O)NCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.54
▸ ABL1 P00519 8/20 0.54
▸ PRKCA P17252 4/20 0.54
▸ EGFR P00533 2/20 0.54
▸ PRKCD Q05655 2/20 0.54
▸ PDGFRA P16234 7/20 0.52
▸ BCR P11274 6/20 0.52
▸ PDGFRB P09619 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SYK P43405 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KIT P10721 3/20 0.51
▸ SRC P12931 2/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ PRKCG P05129 1/20 0.50
▸ PRKCB P05771 1/20 0.50
▸ PRKCH P24723 1/20 0.50
▸ PRKCI P41743 1/20 0.50
▸ PRKCE Q02156 1/20 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
SCHEMBL8349127 0.93 BTK (0.56) BTKABL1PRKCAEGFRPRKCD
SCHEMBL8350684 0.85 MAPK8 (0.55) HTTKMT2AMAPTUSP2
SCHEMBL8349795 0.85 KDM4E (0.58) BTKHTTSYKMAPTJAK2
SCHEMBL14348390 0.82 JAK2 (0.64) BTKABL1PRKCAEGFRPRKCD
SCHEMBL27549053 0.80 PDGFRA (0.53) ABL1PRKCAEGFRPRKCDPDGFRA
SCHEMBL8352521 0.77 ABL1 (0.58) ABL1PRKCAEGFRPRKCDPDGFRA
SCHEMBL14348407 0.77 CAMK2D (0.72) ABL1PRKCAEGFRPRKCDPDGFRA
SCHEMBL8350880 0.76 MAPK8 (0.54) PRKCDHTTKMT2AMAPTPRKCG
SCHEMBL14021215 0.76 HTT (0.59) ABL1PDGFRABCRPDGFRBHTT
SCHEMBL4382343 0.76 JAK2 (0.64) ABL1PRKCAEGFRPRKCDPDGFRA

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
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