SCHEMBL29885142

SCHEMBL29885142

CN(C)C=CC(=O)c1cnc2ccc(Cl)cn12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.49
▸ HPGD P15428 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ POLB P06746 3/20 0.47
▸ ALDH1A1 P00352 8/20 0.46
▸ NPC1 O15118 7/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 3/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ RECQL P46063 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
SCHEMBL23245919 1.00 MAPT (0.49) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL28718664 0.85 CYP1A2 (0.43) MAPTHPGDCYP1A2POLBALDH1A1
SCHEMBL29883915 0.85 CYP1A2 (0.43) MAPTHPGDCYP1A2POLBALDH1A1
SCHEMBL23245940 0.84 RAB9A (0.49) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL23245937 0.84 RAB9A (0.49) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL22876522 0.84 HTT (0.39) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL23245952 0.84 CYP1A2 (0.49) MAPTHPGDCYP1A2CYP2C19ALDH1A1
SCHEMBL23245988 0.84 RAB9A (0.49) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL29544498 0.81 GAA (0.47) MAPTHPGDPOLBALDH1A1GAA
SCHEMBL3546699 0.78 NPC1 (0.49) MAPTHPGDPOLBALDH1A1NPC1

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
EP-4045506-A1 DERIVATIVES OF 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-N-(PYRIDIN-3-YL) PYRIMIDIN-2- AMINE FOR TREATING PROLIFERATIVE DISEASES AND CONDITIONS Aucentra Therapeutics Pty Ltd (AU) 2022-08-24 — — EP disclosed
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