SCHEMBL29945862

SCHEMBL29945862

CNCc1c(F)cccc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 7/20 0.40
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FFAR1 O14842 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL23526016 1.00 EED (0.40) EEDSCN1ASCN5ASCN8ATAAR1
SCHEMBL28879852 0.85 TAAR1 (0.43) TAAR1KDM4EMEN1KMT2ACYP3A4
SCHEMBL6072037 0.85 TAAR1 (0.43) TAAR1MCL1SMN1; SMN2KDM4EMEN1
Hydrochloric Acid SCHEMBL29210672 0.83 KDM4E (0.44) TAAR1MCL1SMN1; SMN2KDM4EMEN1
Hydrochloric Acid SCHEMBL31564653 0.78 RXFP1 (0.38) EEDSCN1ASCN5ASCN8ATAAR1
SCHEMBL6911041 0.78 ALDH1A1 (0.44) TAAR1KDM4EMEN1KMT2AGPR84
SCHEMBL14613959 0.78 ACHE (0.44) EEDSCN8ATAAR1MCL1SMN1; SMN2
SCHEMBL14144306 0.77 EED (0.43) EEDTAAR1SMN1; SMN2KDM4EMEN1
SCHEMBL31614296 0.77 EED (0.43) EEDTAAR1SMN1; SMN2KDM4EMEN1
SCHEMBL22362782 0.77 NPSR1 (0.46) SMN1; SMN2KMT2ACYP3A4ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543450-A1 SALTS OF SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-30 EP disclosed
CN-119546304-A Salts of SOS1 inhibitors 米拉蒂治疗公司 2025-02-28 CN disclosed
CN-119462626-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2025-02-18 CN disclosed
CN-115135315-B SOS1 inhibitors 米拉蒂治疗股份有限公司 2024-11-26 CN disclosed
WO-2023250165-A1 SALTS OF SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-28 WO disclosed
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed