SCHEMBL30162852

SCHEMBL30162852

Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1N

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.54
BRAF P15056 2/20 0.54
CSF1R P07333 1/20 0.54
ARAF P10398 1/20 0.54
DDR1 Q08345 1/20 0.54
DDR2 Q16832 1/20 0.54
IDO1 P14902 1/20 0.46
GRM4 Q14833 1/20 0.44
EGFR P00533 13/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DHODH Q02127 1/20 0.37

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
SCHEMBL24399558 1.00 RAF1 (0.54) RAF1BRAFCSF1RARAFDDR1
SCHEMBL24399760 0.90 BRAF (0.45) RAF1BRAFCSF1RARAFDDR1
SCHEMBL24834657 0.89 EGFR (0.45) RAF1BRAFCSF1RARAFDDR1
SCHEMBL30400384 0.82 EGFR (0.46) RAF1BRAFCSF1RARAFDDR1
SCHEMBL25371810 0.82 EGFR (0.46) RAF1BRAFCSF1RARAFDDR1
SCHEMBL26207960 0.82 LRRK2 (0.48) RAF1BRAFCSF1RARAFDDR1
SCHEMBL24399774 0.82 RAF1 (0.51) RAF1BRAFCSF1RARAFDDR1
SCHEMBL30401683 0.81 RAF1 (0.49) RAF1BRAFCSF1RARAFDDR1
SCHEMBL24927453 0.81 RAF1 (0.49) RAF1BRAFCSF1RARAFDDR1
Hydrochloric Acid SCHEMBL31369340 0.80 RAF1 (0.48) RAF1BRAFCSF1RARAFDDR1

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
EP-4363424-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1 -((3-CHLORO-2- FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2- D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO Genentech, Inc. (US) 2024-05-08 EP disclosed
CN-117580840-A Synthesis of bis-mesylate salt of 4-amino-N- (1- ((3-chloro-2-fluorophenyl) amino) -6-methylisoquinolin-5-yl) thieno [3,2-D ] pyrimidine-7-carboxamide and intermediates thereof 基因泰克公司 2024-02-20 CN disclosed
WO-2023278981-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1 -((3-CHLORO-2- FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2- D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO GENENTECH, INC. (US) 2023-01-05 WO disclosed