SCHEMBL3260832

SCHEMBL3260832

CN1CCN(c2ccc(Nc3cc(N4CCC[C@H](NC(=O)c5cc6c(s5)CCCC6)C4)cn4ccnc34)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.42
EGFR P00533 2/20 0.40
NPC1 O15118 1/20 0.39
PRNP P04156 1/20 0.39
RAB9A P51151 1/20 0.39
MAP4K1 Q92918 1/20 0.38
BTK Q06187 3/20 0.37
LCK P06239 1/20 0.37
JAK3 P52333 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
CDK7 P50613 1/20 0.36

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
SCHEMBL3260836 1.00 SYK (0.42) SYKEGFRNPC1PRNPRAB9A
SCHEMBL2492737 0.83 BTK (0.41) SYKEGFRNPC1PRNPRAB9A
SCHEMBL3264383 0.82 SYK (0.48) SYKNPC1PRNPRAB9ALCK
SCHEMBL3264387 0.82 SYK (0.48) SYKNPC1PRNPRAB9ALCK
SCHEMBL13303599 0.78 SYK (0.51) SYKEGFRMAP4K1
SCHEMBL3262293 0.77 EGFR (0.46) EGFRBTK
SCHEMBL3262289 0.77 EGFR (0.46) EGFRBTK
SCHEMBL3262697 0.76 BTK (0.44) SYKBTKLCKJAK3
SCHEMBL3262701 0.76 BTK (0.44) SYKBTKLCKJAK3
SCHEMBL3266237 0.73 DPP4 (0.40) EGFRNPC1PRNPRAB9ABTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068806-A1 AMIDE DERIVATIVES AS BTK INHIBITORS IN THE TREATMENT OF ALLERGIC, AUTOIMMUNE AND INFLAMMATORY DISORDERS AS WELL AS CANCER CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO claimed
EP-1957549-B1 POLYVINYLESTER SOLID RESINS HAVING HIGH POLYDISPERSITY WACKER CHEMIE AG (DE) 2010-05-19 EP disclosed
EP-1957549-A2 POLYVINYLESTER AND POLY(METH)ACRYLATE SOLID RESINS HAVING HIGH POLYDISPERSITY Wacker Polymer Systems GmbH & Co. KG (DE) 2008-08-20 EP disclosed
WO-2007065804-A2 POLYVINYLESTER AND POLY(METH)ACRYLATE SOLID RESINS HAVING HIGH POLYDISPERSITY WACKER POLYMER SYSTEMS GMBH & CO. KG (DE) 2007-06-14 WO disclosed