SCHEMBL29434172

SCHEMBL29434172

Cn1cnnc1-c1cc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ RAF1 P04049 1/20 0.42
▸ CYP1A2 P05177 4/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 3/20 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
SCHEMBL24766572 1.00 KMT2A (0.44) KMT2AMEN1NPC1RAB9ARAF1
SCHEMBL17204101 0.75 MAPT (0.61) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL913213 0.74 KMT2A (0.63) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL29434132 0.73 PIM1 (0.49) KMT2AMEN1NPC1RAB9ARAF1
SCHEMBL24766059 0.73 ATR (0.47) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL24766055 0.73 PIM1 (0.49) KMT2AMEN1NPC1RAB9ARAF1
SCHEMBL24766035 0.71 MAPT (0.43) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL29434159 0.71 MAPT (0.65) KMT2AMEN1NPC1RAB9ARAF1
SCHEMBL29434160 0.71 MAPT (0.65) KMT2AMEN1NPC1RAB9ARAF1
SCHEMBL971891 0.71 MAPT (0.65) KMT2AMEN1NPC1RAB9ARAF1

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-2022060996-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2022-03-24 — — WO disclosed
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