SCHEMBL23106917

SCHEMBL23106917

Cc1ccc(CN2CCNCC2(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.43
MERTK Q12866 1/20 0.43
GAS6 Q14393 1/20 0.43
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
TLR7 Q9NYK1 4/20 0.34
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
ADORA1 P30542 2/20 0.33
CHRM1 P11229 1/20 0.33
PARG Q86W56 1/20 0.33
ELANE P08246 1/20 0.32
CXCR4 P61073 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL3318399 0.85 FLT3 (0.42) FLT3MERTKGAS6GABRA1GABRA5
SCHEMBL23103351 0.83 FLT3 (0.41) FLT3MERTKGAS6PRMT5WDR77
SCHEMBL3318397 0.81 FLT3 (0.42) FLT3MERTKGAS6
SCHEMBL518379 0.77 ALDH1A1 (0.44) FLT3MERTKGAS6
SCHEMBL3537599 0.76 SIGMAR1 (0.51) ELANECXCR4
SCHEMBL14307263 0.76 CXCR4 (0.53) CHRM1CXCR4
SCHEMBL18291391 0.75 PDE1B (0.47) PRMT5WDR77GABRA1GABRA5CHRM1
SCHEMBL1126479 0.74 GAA (0.46)
SCHEMBL1126385 0.74 NAMPT (0.46) FLT3MERTKGAS6
SCHEMBL27833137 0.73 FLT3 (0.39) FLT3MERTKGAS6

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-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed