SCHEMBL21067321

SCHEMBL21067321

N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 1.00
INSR P06213 2/20 0.77
IGF1R P08069 2/20 0.77
GSK3B P49841 10/20 0.76
GSK3A P49840 7/20 0.76
MEN1 O00255 1/20 0.67
POLB P06746 1/20 0.67
BLM P54132 1/20 0.67
KMT2A Q03164 1/20 0.67
PDK1 Q15118 1/20 0.67
NR2E3 Q9Y5X4 1/20 0.67
PIK3CG P48736 4/20 0.59
HSPD1 P10809 1/20 0.58
HSPE1 P61604 1/20 0.58
PIK3CA P42336 1/20 0.58

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
SCHEMBL1064248 0.88 IGF1R (0.80) CDK2INSRIGF1RGSK3BGSK3A
SCHEMBL1064250 0.88 IGF1R (0.80) CDK2INSRIGF1RGSK3BGSK3A
SCHEMBL3363802 0.88 IGF1R (0.80) CDK2INSRIGF1RGSK3BGSK3A
SCHEMBL12989670 0.87 IGF1R (1.00) CDK2INSRIGF1RGSK3BGSK3A
SCHEMBL3363658 0.87 IGF1R (1.00) CDK2INSRIGF1RGSK3BGSK3A
SCHEMBL3363656 0.87 IGF1R (1.00) CDK2INSRIGF1RGSK3BGSK3A
SCHEMBL6721235 0.86 GSK3B (1.00) CDK2INSRIGF1RGSK3BGSK3A
SCHEMBL623104 0.86 CDK2 (0.76) CDK2IGF1RGSK3BGSK3AMEN1
SCHEMBL623103 0.86 CDK2 (0.76) CDK2IGF1RGSK3BGSK3AMEN1
SCHEMBL13479541 0.84 CDK2 (0.72) CDK2IGF1RGSK3BGSK3AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4256086-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-10-11 EP disclosed
WO-2022119842-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER (US) 2022-06-09 WO disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed