SCHEMBL3886964

SCHEMBL3886964

CCC1(CC)CNCCN1c1ccc(-c2cc(-c3ccc(NC(=O)Nc4ccc5c(c4)OCCO5)cc3)n[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.41
CSF1R P07333 2/20 0.41
PDGFRB P09619 2/20 0.41
KIT P10721 2/20 0.41
KDR P35968 2/20 0.41
DDR1 Q08345 2/20 0.41
ACR P10323 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1788574 0.79 PRKD1 (0.60) KDRNPC1RAB9ASMN1; SMN2FLT3
SCHEMBL14362676 0.75 MEN1 (0.43) RETCSF1RPDGFRBKITKDR
SCHEMBL1792803 0.65 PRKD1 (0.64) KDRNPC1RAB9AFLT3PRKD1
SCHEMBL1789941 0.63 RAB9A (0.63) RETPDGFRBKDRMEN1KMT2A
SCHEMBL1791695 0.63 RAF1 (0.61) RETCSF1RKDRMAPTLMNA
SCHEMBL23803492 0.62 RET (0.65) RETCSF1RPDGFRBKITKDR
SCHEMBL4554969 0.62 NPC1 (0.74) MEN1KMT2AMAPTUSP2LMNA
SCHEMBL1788150 0.61 MELK (0.66) KITKDRFLT3PRKD1GAA
SCHEMBL27802563 0.61 PRKD1 (0.67) KDRFLT3PRKD1
SCHEMBL1791767 0.61 RAF1 (0.63) KDRMAPTLMNAFLT3PRKD1

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
EP-1797072-A4 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-09-09 EP disclosed
EP-1797072-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-06-20 EP disclosed
WO-2006033943-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2006-03-30 WO disclosed