SCHEMBL24985048

SCHEMBL24985048

COc1ccc(CN(C)c2cc(Nc3cccc(C)n3)nc3c(C)cnn23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ MAPT P10636 4/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSPO P30536 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ GRM5 P41594 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ JAK2 O60674 1/20 0.33

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
SCHEMBL22092692 0.88 POLB (0.44) NPC1RAB9AACP1MAPTNPSR1
SCHEMBL24987471 0.86 POLB (0.46) NPC1RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL22092637 0.85 KDM4E (0.41) NPC1RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL24961730 0.82 MEN1 (0.43) NPC1KMT2AMEN1MAPTNPSR1
SCHEMBL22092671 0.78 TYK2 (0.56) POLBTYK2
SCHEMBL21887372 0.73 TDP1 (0.44) RAB9AKMT2AMEN1MAPTNPSR1
SCHEMBL21811164 0.73 AKR1C3 (0.46) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL21887375 0.71 KDM4E (0.42) NPC1RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL21887777 0.71 MAPT (0.44) NPC1RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL21887781 0.70 NPSR1 (0.43) NPC1RAB9AKMT2AMEN1MAPT

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-3894412-B1 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES LILLY CO ELI (US) 2023-02-08 — — EP disclosed
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