SCHEMBL24127269

SCHEMBL24127269

CNc1cnc(C(=O)N(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 6/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ FYN P06241 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ PRNP P04156 1/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32
▸ MKNK1 Q9BUB5 2/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32

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
SCHEMBL15290751 0.79 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1ALOX15
SCHEMBL31335645 0.76 ALDH1A1 (0.42) CYP3A4CYP2C19ALDH1A1HPGDNPC1
SCHEMBL2629374 0.75 NOS1 (0.40) HPGDNPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL3339285 0.73 PIK3CD (0.35) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL16742553 0.70 ALDH1A1 (0.42) KDM4EALDH1A1ALOX15HSD17B10FYN
SCHEMBL7995724 0.69 ALDH1A1 (0.35) KDM4EALDH1A1RAB9ASMN1; SMN2HSD17B1
SCHEMBL3333089 0.69 HSD17B1 (0.34) HPGDNPC1SMN1; SMN2HCAR2MKNK1
SCHEMBL25884614 0.68 HCAR3 (0.33) ALDH1A1ALOX15HSD17B1HSD17B2MAPT
SCHEMBL24979121 0.68 LOXL2 (0.39) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL13301119 0.68 HSD17B1 (0.31) HSD17B1HSD17B2HDAC3HDAC4HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081363-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-04-18 — — WO disclosed
WO-2023172940-A1 METHODS FOR TREATING IMMUNE REFRACTORY LUNG CANCER Revolution Medicines, Inc. (US) 2023-09-14 — — WO disclosed
WO-2021257736-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2021-12-23 — — WO disclosed
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