SCHEMBL24112594

SCHEMBL24112594

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCN(C)CCO)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.41
▸ CSF1R P07333 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ BCL6 P41182 3/20 0.37
▸ IGF1R P08069 2/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 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
SCHEMBL30349902 0.90 PTK6 (0.41) PTK6POLBBCL6IGF1RALK
SCHEMBL22125118 0.90 PTK6 (0.41) PTK6POLBBCL6IGF1RALK
SCHEMBL22124504 0.89 PTK6 (0.42) PTK6BCL6IGF1RALKMCHR1
SCHEMBL24112398 0.89 PTK6 (0.44) PTK6POLBMAPTBCL6IGF1R
SCHEMBL24112596 0.89 PTK6 (0.40) PTK6POLBBCL6IGF1RPDE5A
SCHEMBL25450750 0.88 PTK6 (0.42) PTK6BCL6IGF1RMCHR1KDM4E
SCHEMBL22123365 0.88 PTK6 (0.42) PTK6BCL6IGF1RALKMCHR1
SCHEMBL22123532 0.88 PTK6 (0.42) PTK6BCL6IGF1RALKMCHR1
SCHEMBL22123658 0.88 PTK6 (0.42) PTK6BCL6IGF1RALKMCHR1
Hydrochloric Acid SCHEMBL30171699 0.88 PTK6 (0.42) PTK6BCL6IGF1RALKMCHR1

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
WO-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO disclosed
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