SCHEMBL4407765

SCHEMBL4407765

Cc1ccc(NC(=O)c2cc(C#N)cc(N3CCCC3)c2)cc1C1=CCON1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.45
BRAF P15056 14/20 0.45
CNR1 P21554 1/20 0.44
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 2/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
KDR P35968 1/20 0.40
MAP2K1 Q02750 1/20 0.40

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
SCHEMBL5593311 0.77 RAF1 (0.46) RAF1BRAFCSF1R
SCHEMBL4407767 0.76 CNR1 (0.43) RAF1BRAFCNR1NPC1USP2
SCHEMBL5593352 0.72 RAF1 (0.41) RAF1BRAFNPC1USP2ALDH1A1
SCHEMBL5593303 0.71 RAF1 (0.59) RAF1BRAFMAPK14
SCHEMBL4412693 0.71 RAF1 (0.49) RAF1BRAFCSF1R
SCHEMBL4541481 0.71 RAB9A (0.47) RAF1BRAFNPC1RAB9AMAPK14
SCHEMBL5593445 0.70 RAF1 (0.58) RAF1BRAFMAPK14CSF1R
SCHEMBL4412596 0.70 ACKR3 (0.43) RAF1BRAFNPC1RAB9AMAPK14
SCHEMBL4409551 0.70 RAF1 (0.43) RAF1BRAFCSF1R
SCHEMBL4410942 0.70 BRAF (0.45) RAF1BRAFCSF1R

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
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed