SCHEMBL9833379

SCHEMBL9833379

O=C1NCc2c1c(-c1ccccc1O)cc1[nH]c3ccccc3c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.61
MAP3K11 Q16584 7/20 0.61
MAP3K9 P80192 6/20 0.61
ROCK2 O75116 6/20 0.58
PRKCA P17252 5/20 0.55
PRKCQ Q04759 4/20 0.55
PRKCD Q05655 4/20 0.55
PRKD3 O94806 3/20 0.55
PRKCG P05129 3/20 0.55
PRKCB P05771 3/20 0.55
PRKCH P24723 3/20 0.55
PRKCI P41743 3/20 0.55
PRKCE Q02156 3/20 0.55
PRKCZ Q05513 3/20 0.55
PRKD1 Q15139 3/20 0.55
GLI1 P08151 2/20 0.55
GLI2 P10070 2/20 0.55
CDK4 P11802 1/20 0.55
CTRB1 P17538 1/20 0.55
PRKACA P17612 1/20 0.55

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
SCHEMBL9834703 0.84 MAP3K11 (0.81) WEE1MAP3K11MAP3K9ROCK2PRKCA
SCHEMBL9834200 0.82 MAP3K9 (0.58) WEE1MAP3K11MAP3K9ROCK2PRKCA
SCHEMBL5829454 0.76 WEE1 (1.00) WEE1MAP3K11MAP3K9ROCK2PRKCA
Staurosporinone SCHEMBL29389399 0.72 MAP3K11 (1.00) MAP3K11MAP3K9ROCK2PRKCAPRKCQ
SCHEMBL16131549 0.72 MAP3K11 (0.56) WEE1MAP3K11MAP3K9ROCK2PRKCA
Staurosporinone SCHEMBL5440281 0.72 MAP3K11 (1.00) MAP3K11MAP3K9ROCK2PRKCAPRKCQ
Staurosporinone SCHEMBL29374983 0.72 MAP3K11 (1.00) MAP3K11MAP3K9ROCK2PRKCAPRKCQ
Carbazole SCHEMBL27571745 0.70 ALDH1A1 (0.64) WEE1IKBKBPIM1PARP1CHEK1
SCHEMBL5828678 0.69 WEE1 (1.00) WEE1PRKCAPRKCQPRKCDPRKD3
SCHEMBL30565440 0.69 IMPDH2 (0.72) WEE1CDK4CCND1PARP1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0362695-B1 PYRROLOCARBAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-04-03 EP disclosed
EP-0362695-A1 Pyrrolocarbazole derivatives, processes for their preparation and their use as medicaments GÖDECKE AKTIENGESELLSCHAFT (DE) 1990-04-11 EP disclosed
US-4912107-A Pyrrolocarbazole derivatives, compositions containing them, and methods for using them GOEDECKE AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed