SCHEMBL30640089

SCHEMBL30640089

COc1cccc(F)c1-c1cc(C)ncc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 5/20 0.60
▸ HTR5A P47898 1/20 0.47
▸ CSF1R P07333 8/20 0.46
▸ JAK2 O60674 2/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ BRD2 P25440 1/20 0.42
▸ BRD3 Q15059 1/20 0.42
▸ PARP10 Q53GL7 2/20 0.42
▸ PARP15 Q460N3 1/20 0.42
▸ PARP14 Q460N5 1/20 0.42

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
SCHEMBL30640087 1.00 POLQ (0.60) POLQHTR5ACSF1RJAK2JAK1
SCHEMBL30640062 1.00 POLQ (0.60) POLQHTR5ACSF1RJAK2JAK1
SCHEMBL24501039 0.89 POLQ (0.61) POLQHTR5A
SCHEMBL29695040 0.89 POLQ (0.61) POLQHTR5A
SCHEMBL29694673 0.89 POLQ (0.61) POLQHTR5A
SCHEMBL30526637 0.88 POLQ (0.63) POLQ
SCHEMBL25306864 0.88 POLQ (0.63) POLQ
SCHEMBL30526675 0.81 JAK1 (0.47) POLQCSF1RJAK2JAK1TYK2
SCHEMBL30905067 0.81 POLQ (0.48) POLQCSF1R
SCHEMBL22731850 0.81 POLQ (0.58) POLQCSF1RJAK2JAK1TYK2

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
CN-117083271-A Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors 伊迪亚生物科学有限公司 2023-11-17 — — CN disclosed
Send feedback