SCHEMBL29694450

SCHEMBL29694450

CN(C)CCCNc1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ DRD3 P35462 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL24568839 1.00 KDR (0.40) KDRKDM4EL3MBTL1FGFR2DRD3
SCHEMBL3803720 0.80 HPGDS (0.47) KDRPOLB
SCHEMBL13006325 0.80 CA1 (0.46) DRD3
SCHEMBL3798979 0.77 HPGDS (0.44) KDRPOLB
SCHEMBL29742741 0.75 DGAT1 (0.40) KDM4ENPC1POLBSLC2A1APOBEC3A
SCHEMBL29694423 0.75 CHRNB2 (0.46) KDM4E
SCHEMBL24568274 0.75 CHRNB2 (0.46) KDM4E
SCHEMBL2068387 0.74 KDM4E (0.39) KDRKDM4E
SCHEMBL24568718 0.73 GSK3A (0.41) KDRL3MBTL1POLB
SCHEMBL15549532 0.73 LTA4H (0.42) KDRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267584-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-11-01 — — EP disclosed
WO-2022136221-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-30 — — WO disclosed
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