SCHEMBL29650231

SCHEMBL29650231

NCc1ccc(B(O)O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.38
ENPP2 Q13822 5/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MGLL Q99685 2/20 0.33
TTR P02766 1/20 0.33
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL2722490 1.00 F11 (0.45) F11LOXL2ENPP2CA1CA2
Hydrochloric Acid SCHEMBL17645949 0.98 F11 (0.48) F11LOXL2ENPP2CA1CA2
SCHEMBL12098133 0.86 TAAR1 (0.45) F11ENPP2CA1CA2KDM4E
SCHEMBL17339405 0.84 F11 (0.45) F11LOXL2ENPP2CA1CA2
SCHEMBL15738778 0.82 ENPP2 (0.44) F11ENPP2CA1CA2MGLL
SCHEMBL18384418 0.80 CA1 (0.36) F11ENPP2CA1CA2KDM4E
SCHEMBL29220044 0.80 CA1 (0.37) F11ENPP2CA1CA2MGLL
SCHEMBL17485375 0.80 LPL (0.47) ENPP2CA1CA2LPLLIPG
SCHEMBL30924951 0.80 CA1 (0.37) F11ENPP2CA1CA2MGLL
SCHEMBL18393729 0.77 LIPG (0.50) ENPP2CA1CA2MGLLLPL

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
CN-117940427-A Substituted pyrazolo [1,5-a ] pyrimidine-7-amine compounds as CDK inhibitors and therapeutic uses thereof 卡里克治疗有限公司 2024-04-26 CN disclosed
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 EP disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 WO disclosed
CN-109563103-B Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2022-05-27 CN disclosed