SCHEMBL20069734

SCHEMBL20069734

CN1CCC(C)(NC(=O)c2cc(F)ccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.50
KMT2A Q03164 1/20 0.44
P2RX7 Q99572 1/20 0.44
CCR3 P51677 1/20 0.44
WDR5 P61964 2/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL20205997 0.89 RET (0.49) RETKMT2AP2RX7CCR3WDR5
SCHEMBL20068927 0.87 CCR3 (0.45) RETP2RX7CCR3MAPK1CYP2D6
SCHEMBL20147543 0.86 RET (0.50) RETP2RX7CCR3
SCHEMBL20068931 0.86 RET (0.47) RETCCR3
SCHEMBL20069762 0.83 CCR3 (0.44) RETP2RX7CCR3MAPK1CYP2D6
SCHEMBL20069672 0.82 RET (0.46) RETCCR3WDR5MAPK1
SCHEMBL20069763 0.82 PIN1 (0.48) RETKMT2ACCR3LMNATP53
SCHEMBL20069757 0.82 RET (0.43) RETP2RX7CCR3WDR5MAPK1
SCHEMBL20069742 0.81 KMT2A (0.54) KMT2AP2RX7WDR5CYP2D6
SCHEMBL20069741 0.79 RET (0.46) RETCCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed