SCHEMBL21394568

SCHEMBL21394568

CC(C)(C)OC(=O)Nc1cc(Cc2cccc(Cl)c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.50
PTGER1 P34995 2/20 0.48
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 1/20 0.46
NR3C2 P08235 6/20 0.46
CYP17A1 P05093 1/20 0.46
CTSL P07711 1/20 0.45
ANO1 Q5XXA6 1/20 0.43
LMNA P02545 1/20 0.43
ATR Q13535 1/20 0.43
IGF1R P08069 1/20 0.42
P2RX3 P56373 1/20 0.42
CDK1 P06493 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41

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
SCHEMBL29358615 1.00 CCR2 (0.50) CCR2PTGER1CYP2C9KDM4ENR3C2
SCHEMBL29442824 1.00 CCR2 (0.50) CCR2PTGER1CYP2C9KDM4ENR3C2
SCHEMBL3900938 0.84 CCR2 (0.47) CCR2PTGER1CYP2C9KDM4ECTSL
SCHEMBL21394815 0.82 PTGER1 (0.49) CCR2PTGER1CYP2C9KDM4ECTSL
SCHEMBL29353829 0.82 PTGER1 (0.49) CCR2PTGER1CYP2C9KDM4ECTSL
SCHEMBL437390 0.82 ATR (0.52) CCR2PTGER1CYP2C9ATRP2RX3
SCHEMBL29840658 0.82 ATR (0.52) CCR2PTGER1CYP2C9ATRP2RX3
SCHEMBL21384138 0.81 NR3C2 (0.53) NR3C2LMNA
SCHEMBL12953977 0.81 IGF1R (0.47) CCR2PTGER1CYP2C9NR3C2CYP17A1
SCHEMBL21394859 0.81 KDM4E (0.46) PTGER1CYP2C9KDM4ECTSL

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
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed