SCHEMBL29434137

SCHEMBL29434137

C[Si](C)(C)Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL24766554 1.00 KMT2A (0.40) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL17204101 0.73 MAPT (0.61) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL24766072 0.72 PIM1 (0.52) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL29434132 0.71 PIM1 (0.49) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL24766055 0.71 PIM1 (0.49) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL24766591 0.70 CNR2 (0.46) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL24766572 0.70 KMT2A (0.44) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL29434172 0.70 KMT2A (0.44) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL913213 0.70 KMT2A (0.63) KMT2ACYP1A2CYP2D6MAPTMEN1
SCHEMBL24766035 0.69 MAPT (0.43) KMT2ACYP1A2CYP2D6MAPTMEN1

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
Send feedback