SCHEMBL19928665

SCHEMBL19928665

CCNc1cc(NC2CC2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.49
HRH3 Q9Y5N1 2/20 0.49
HRH2 P25021 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.47
ALOX15 P16050 2/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2C9 P11712 2/20 0.45
FLT3 P36888 6/20 0.45
TYRO3 Q06418 6/20 0.45
MERTK Q12866 6/20 0.45
GAS6 Q14393 6/20 0.45
EGFR P00533 1/20 0.44
PRCP P42785 2/20 0.40
DNM2 P50570 2/20 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
SCHEMBL17210140 0.82 EGFR (0.56) HRH4HRH3HRH2MEN1KMT2A
SCHEMBL18181915 0.79 MEN1 (0.51) HRH4HRH3HRH2MEN1KMT2A
SCHEMBL16665023 0.78 FLT3 (0.53) CYP1A2CYP3A4CYP2D6ALOX15CYP2C19
SCHEMBL19928687 0.77 PRCP (0.47) HRH4HRH3HRH2MEN1KMT2A
SCHEMBL11654039 0.76 ESR1 (0.46) MEN1KMT2ACYP1A2CYP2D6MERTK
SCHEMBL15114896 0.76 CYP1A2 (0.54) HRH4HRH3HRH2MEN1KMT2A
SCHEMBL20355876 0.75 MEN1 (0.51) HRH4HRH3HRH2MEN1KMT2A
SCHEMBL21016726 0.75 EGFR (0.41) HRH4HRH3HRH2CYP1A2FLT3
SCHEMBL19633535 0.73 HRH4 (0.51) HRH4HRH3HRH2MEN1KMT2A
SCHEMBL15830289 0.72 MEN1 (0.53) HRH4HRH3HRH2MEN1KMT2A

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
US-9908872-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed